CID 54594164

2-chloro-5-(methanesulfinylmethyl)aniline

Structural Information

Molecular Formula
C8H10ClNOS
SMILES
CS(=O)CC1=CC(=C(C=C1)Cl)N
InChI
InChI=1S/C8H10ClNOS/c1-12(11)5-6-2-3-7(9)8(10)4-6/h2-4H,5,10H2,1H3
InChIKey
PAFVCKQHHQUIBA-UHFFFAOYSA-N
Compound name
2-chloro-5-(methylsulfinylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.01717 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.02445 139.9
[M+Na]+ 226.00639 152.6
[M+NH4]+ 221.05099 149.2
[M+K]+ 241.98033 144.2
[M-H]- 202.00989 142.8
[M+Na-2H]- 223.99184 146.0
[M]+ 203.01662 143.3
[M]- 203.01772 143.3
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

No patent data available for this compound.