CID 12953020

3-chloro-2-methyl-6-nitroaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

186.0196 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.02688 134.7
[M+Na]+ 209.00882 144.1
[M-H]- 185.01232 138.5
[M+NH4]+ 204.05342 154.5
[M+K]+ 224.98276 136.8
[M+H-H2O]+ 169.01686 135.1
[M+HCOO]- 231.01780 156.8
[M+CH3COO]- 245.03345 177.7
[M+Na-2H]- 206.99427 141.2
[M]+ 186.01905 134.2
[M]- 186.02015 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