CID 136736

2-chloro-n-methylaniline

Structural Information

Molecular Formula
C7H8ClN
SMILES
CNC1=CC=CC=C1Cl
InChI
InChI=1S/C7H8ClN/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChIKey
WGNNILPYHCKCFF-UHFFFAOYSA-N
Compound name
2-chloro-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

908
Patents

141.03453 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.041806 124.9
[M+Na]+ 164.023748 134.0
[M-H]- 140.027254 128.8
[M+NH4]+ 159.068353 147.3
[M+K]+ 179.997688 130.5
[M+H-H2O]+ 124.031790 120.5
[M+HCOO]- 186.032731 146.5
[M+CH3COO]- 200.048381 175.1
[M+Na-2H]- 162.009196 133.3
[M]+ 141.03398142 125.6
[M]- 141.03507858 125.6
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