CID 2733460

2-chloro-6-methyl-4-nitroaniline

Structural Information

Molecular Formula
C7H7ClN2O2
SMILES
CC1=CC(=CC(=C1N)Cl)[N+](=O)[O-]
InChI
InChI=1S/C7H7ClN2O2/c1-4-2-5(10(11)12)3-6(8)7(4)9/h2-3H,9H2,1H3
InChIKey
HVPVUAIKGOKEEE-UHFFFAOYSA-N
Compound name
2-chloro-6-methyl-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

164
Patents

186.0196 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.026876 134.7
[M+Na]+ 209.008818 144.1
[M-H]- 185.012324 138.5
[M+NH4]+ 204.053423 154.5
[M+K]+ 224.982758 136.8
[M+H-H2O]+ 169.016860 135.1
[M+HCOO]- 231.017801 156.8
[M+CH3COO]- 245.033451 177.7
[M+Na-2H]- 206.994266 141.2
[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

literature stripe

Patent stripe

patents stripe