CID 45121148

(2-fluoro-4-nitrophenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C7H7FN2O2
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])F)CN
InChI
InChI=1S/C7H7FN2O2/c8-7-3-6(10(11)12)2-1-5(7)4-9/h1-3H,4,9H2
InChIKey
PFNBFQGEYYHVRJ-UHFFFAOYSA-N
Compound name
(2-fluoro-4-nitrophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

170.04915 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05643 128.0
[M+Na]+ 193.03837 140.1
[M+NH4]+ 188.08297 135.8
[M+K]+ 209.01231 137.2
[M-H]- 169.04187 130.5
[M+Na-2H]- 191.02382 134.2
[M]+ 170.04860 130.1
[M]- 170.04970 130.1
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