CID 79595

2-chloro-6-nitro-p-toluidine

Structural Information

Molecular Formula
C7H7ClN2O2
SMILES
CC1=CC(=C(C(=C1)Cl)N)[N+](=O)[O-]
InChI
InChI=1S/C7H7ClN2O2/c1-4-2-5(8)7(9)6(3-4)10(11)12/h2-3H,9H2,1H3
InChIKey
UGXUJYWOKLTNET-UHFFFAOYSA-N
Compound name
2-chloro-4-methyl-6-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

186.0196 Da
Monoisotopic Mass

2.6
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

No literature data available for this compound.

Patent stripe

patents stripe