CID 12475434

3-chloro-5-methylaniline

Structural Information

Molecular Formula
C7H8ClN
SMILES
CC1=CC(=CC(=C1)Cl)N
InChI
InChI=1S/C7H8ClN/c1-5-2-6(8)4-7(9)3-5/h2-4H,9H2,1H3
InChIKey
XUZCJDBXXYJXDD-UHFFFAOYSA-N
Compound name
3-chloro-5-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

368
Patents

141.03453 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.041806 125.1
[M+Na]+ 164.023748 135.2
[M-H]- 140.027254 128.9
[M+NH4]+ 159.068353 147.7
[M+K]+ 179.997688 131.4
[M+H-H2O]+ 124.031790 121.1
[M+HCOO]- 186.032731 146.2
[M+CH3COO]- 200.048381 175.5
[M+Na-2H]- 162.009196 131.8
[M]+ 141.03398142 125.2
[M]- 141.03507858 125.2
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