CID 2783399

3-fluoro-4-nitrobenzonitrile

Structural Information

Molecular Formula
C7H3FN2O2
SMILES
C1=CC(=C(C=C1C#N)F)[N+](=O)[O-]
InChI
InChI=1S/C7H3FN2O2/c8-6-3-5(4-9)1-2-7(6)10(11)12/h1-3H
InChIKey
OZXCOGPRBUSXLE-UHFFFAOYSA-N
Compound name
3-fluoro-4-nitrobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

655
Patents

166.01785 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.02513 132.8
[M+Na]+ 189.00707 143.4
[M-H]- 165.01057 135.3
[M+NH4]+ 184.05167 150.6
[M+K]+ 204.98101 137.4
[M+H-H2O]+ 149.01511 124.2
[M+HCOO]- 211.01605 154.2
[M+CH3COO]- 225.03170 185.9
[M+Na-2H]- 186.99252 139.7
[M]+ 166.01730 125.5
[M]- 166.01840 125.5
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