CID 67957867

(4-chloro-3-fluoro-5-nitrophenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C7H6ClFN2O2
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])Cl)F)CN
InChI
InChI=1S/C7H6ClFN2O2/c8-7-5(9)1-4(3-10)2-6(7)11(12)13/h1-2H,3,10H2
InChIKey
SGBOKITYYDTNNX-UHFFFAOYSA-N
Compound name
(4-chloro-3-fluoro-5-nitrophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

204.01018 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.01746 136.5
[M+Na]+ 226.99940 146.0
[M-H]- 203.00290 138.9
[M+NH4]+ 222.04400 155.5
[M+K]+ 242.97334 138.2
[M+H-H2O]+ 187.00744 135.9
[M+HCOO]- 249.00838 157.6
[M+CH3COO]- 263.02403 180.5
[M+Na-2H]- 224.98485 142.5
[M]+ 204.00963 134.9
[M]- 204.01073 134.9
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