CID 3122145

1-methyl-2-(2,4,5,7-tetranitro-9h-fluoren-9-ylidene)pyrrolidine

Structural Information

Molecular Formula
C18H13N5O8
SMILES
CN1CCCC1=C2C3=C(C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C4=C2C=C(C=C4[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C18H13N5O8/c1-19-4-2-3-13(19)16-11-5-9(20(24)25)7-14(22(28)29)17(11)18-12(16)6-10(21(26)27)8-15(18)23(30)31/h5-8H,2-4H2,1H3
InChIKey
MTNBKDKDGTZQIS-UHFFFAOYSA-N
Compound name
1-methyl-2-(2,4,5,7-tetranitrofluoren-9-ylidene)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.07642 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.08370 207.0
[M+Na]+ 450.06564 206.4
[M-H]- 426.06914 212.8
[M+NH4]+ 445.11024 221.5
[M+K]+ 466.03958 188.5
[M+H-H2O]+ 410.07368 213.7
[M+HCOO]- 472.07462 236.7
[M+CH3COO]- 486.09027 208.9
[M+Na-2H]- 448.05109 214.6
[M]+ 427.07587 198.1
[M]- 427.07697 198.1
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.