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
1
Annotation Hits

24
References

1131
Patents

182.024 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.03128 131.4
[M+Na]+ 205.01322 139.0
[M-H]- 181.01672 136.8
[M+NH4]+ 200.05782 150.0
[M+K]+ 220.98716 129.4
[M+H-H2O]+ 165.02126 132.9
[M+HCOO]- 227.02220 162.6
[M+CH3COO]- 241.03785 180.0
[M+Na-2H]- 202.99867 143.0
[M]+ 182.02345 126.6
[M]- 182.02455 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