CID 2774652

4-fluoro-2-nitrobenzonitrile

Structural Information

Molecular Formula
C7H3FN2O2
SMILES
C1=CC(=C(C=C1F)[N+](=O)[O-])C#N
InChI
InChI=1S/C7H3FN2O2/c8-6-2-1-5(4-9)7(3-6)10(11)12/h1-3H
InChIKey
MNEAKKQYFSYZEU-UHFFFAOYSA-N
Compound name
4-fluoro-2-nitrobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
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

No literature data available for this compound.

Patent stripe

patents stripe