CID 68786445

3-chloro-5-(methylsulfanyl)aniline

Structural Information

Molecular Formula
C7H8ClNS
SMILES
CSC1=CC(=CC(=C1)N)Cl
InChI
InChI=1S/C7H8ClNS/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,9H2,1H3
InChIKey
NZCVNAAZMCVKHP-UHFFFAOYSA-N
Compound name
3-chloro-5-methylsulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

173.00659 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.01387 132.0
[M+Na]+ 195.99581 145.8
[M+NH4]+ 191.04041 142.5
[M+K]+ 211.96975 136.3
[M-H]- 171.99931 135.9
[M+Na-2H]- 193.98126 139.3
[M]+ 173.00604 135.9
[M]- 173.00714 135.9
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