CID 3616586

3-((2,4,5,7-tetranitro-9h-fluoren-9-ylidene)methyl)-1h-indole

Structural Information

Molecular Formula
C22H11N5O8
SMILES
C1=CC=C2C(=C1)C(=CN2)C=C3C4=C(C(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C5=C3C=C(C=C5[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C22H11N5O8/c28-24(29)12-6-16-15(5-11-10-23-18-4-2-1-3-14(11)18)17-7-13(25(30)31)9-20(27(34)35)22(17)21(16)19(8-12)26(32)33/h1-10,23H
InChIKey
VZGIJCVLUQSNOG-UHFFFAOYSA-N
Compound name
3-[(2,4,5,7-tetranitrofluoren-9-ylidene)methyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.06076 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.06804 212.4
[M+Na]+ 496.04998 211.5
[M-H]- 472.05348 218.4
[M+NH4]+ 491.09458 217.3
[M+K]+ 512.02392 192.5
[M+H-H2O]+ 456.05802 217.7
[M+HCOO]- 518.05896 229.7
[M+CH3COO]- 532.07461 214.4
[M+Na-2H]- 494.03543 222.4
[M]+ 473.06021 205.5
[M]- 473.06131 205.5
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.