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
1
Annotation Hits

0
References

161
Patents

186.0196 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.02688 132.9
[M+Na]+ 209.00882 147.3
[M+NH4]+ 204.05342 141.9
[M+K]+ 224.98276 143.5
[M-H]- 185.01232 137.1
[M+Na-2H]- 206.99427 139.7
[M]+ 186.01905 136.3
[M]- 186.02015 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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