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

119
Patents

166.01785 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.025126 132.8
[M+Na]+ 189.007068 143.4
[M-H]- 165.010574 135.3
[M+NH4]+ 184.051673 150.6
[M+K]+ 204.981008 137.4
[M+H-H2O]+ 149.015110 124.2
[M+HCOO]- 211.016051 154.2
[M+CH3COO]- 225.031701 185.9
[M+Na-2H]- 186.992516 139.7
[M]+ 166.01730142 125.5
[M]- 166.01839858 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