CID 2794577

5-chloro-2-(methylsulfanyl)aniline hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
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 130.7
[M+Na]+ 195.99581 140.8
[M-H]- 171.99931 134.7
[M+NH4]+ 191.04041 152.5
[M+K]+ 211.96975 136.0
[M+H-H2O]+ 156.00385 126.5
[M+HCOO]- 218.00479 146.3
[M+CH3COO]- 232.02044 179.3
[M+Na-2H]- 193.98126 134.0
[M]+ 173.00604 132.8
[M]- 173.00714 132.8
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