CID 427359

(2-chloro-6-nitrophenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C7H7ClN2O2
SMILES
C1=CC(=C(C(=C1)Cl)CN)[N+](=O)[O-]
InChI
InChI=1S/C7H7ClN2O2/c8-6-2-1-3-7(10(11)12)5(6)4-9/h1-3H,4,9H2
InChIKey
SPLDTOFRTGVWKF-UHFFFAOYSA-N
Compound name
(2-chloro-6-nitrophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

186.0196 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.026876 135.0
[M+Na]+ 209.008818 143.5
[M-H]- 185.012324 138.4
[M+NH4]+ 204.053423 154.5
[M+K]+ 224.982758 136.2
[M+H-H2O]+ 169.016860 135.1
[M+HCOO]- 231.017801 157.2
[M+CH3COO]- 245.033451 176.6
[M+Na-2H]- 206.994266 142.2
[M]+ 186.01905142 134.2
[M]- 186.02014858 134.2
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