CID 5876263

Nsc658140

Structural Information

Molecular Formula
C26H10N8O12
SMILES
C1=CC2=C(/C(=N/N=C/3\C4=C(C(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C5=C3C=C(C=C5)[N+](=O)[O-])/C6=C2C(=CC(=C6)[N+](=O)[O-])[N+](=O)[O-])C=C1[N+](=O)[O-]
InChI
InChI=1S/C26H10N8O12/c35-29(36)11-1-3-15-17(5-11)25(19-7-13(31(39)40)9-21(23(15)19)33(43)44)27-28-26-18-6-12(30(37)38)2-4-16(18)24-20(26)8-14(32(41)42)10-22(24)34(45)46/h1-10H/b27-25-,28-26-
InChIKey
DRNIVEDTEVAGKO-LBXGSASVSA-N
Compound name
(Z)-2,4,7-trinitro-N-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)amino]fluoren-9-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

626.0418 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 627.04908 236.8
[M+Na]+ 649.03102 237.4
[M-H]- 625.03452 236.8
[M+NH4]+ 644.07562 237.3
[M+K]+ 665.00496 238.1
[M+H-H2O]+ 609.03906 236.9
[M+HCOO]- 671.04000 238.3
[M+CH3COO]- 685.05565 237.2
[M+Na-2H]- 647.01647 239.0
[M]+ 626.04125 237.2
[M]- 626.04235 237.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.