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]+ 205.017456 136.5
[M+Na]+ 226.999398 146.0
[M-H]- 203.002904 138.9
[M+NH4]+ 222.044003 155.5
[M+K]+ 242.973338 138.2
[M+H-H2O]+ 187.007440 135.9
[M+HCOO]- 249.008381 157.6
[M+CH3COO]- 263.024031 180.5
[M+Na-2H]- 224.984846 142.5
[M]+ 204.00963142 134.9
[M]- 204.01072858 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