CID 93121

4-fluoro-3-nitrophenyl azide

Structural Information

Molecular Formula
C6H3FN4O2
SMILES
C1=CC(=C(C=C1N=[N+]=[N-])[N+](=O)[O-])F
InChI
InChI=1S/C6H3FN4O2/c7-5-2-1-4(9-10-8)3-6(5)11(12)13/h1-3H
InChIKey
VCTBSHQJICJJFV-UHFFFAOYSA-N
Compound name
4-azido-1-fluoro-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

24
References

1125
Patents

182.024 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.031276 131.4
[M+Na]+ 205.013218 139.0
[M-H]- 181.016724 136.8
[M+NH4]+ 200.057823 150.0
[M+K]+ 220.987158 129.4
[M+H-H2O]+ 165.021260 132.9
[M+HCOO]- 227.022201 162.6
[M+CH3COO]- 241.037851 180.0
[M+Na-2H]- 202.998666 143.0
[M]+ 182.02345142 126.6
[M]- 182.02454858 126.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe