CID 54594219

2-chloro-5-(methanesulfonylmethyl)aniline

Structural Information

Molecular Formula
C8H10ClNO2S
SMILES
CS(=O)(=O)CC1=CC(=C(C=C1)Cl)N
InChI
InChI=1S/C8H10ClNO2S/c1-13(11,12)5-6-2-3-7(9)8(10)4-6/h2-4H,5,10H2,1H3
InChIKey
PKPNYRFQCUDZID-UHFFFAOYSA-N
Compound name
2-chloro-5-(methylsulfonylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.01208 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.01936 142.2
[M+Na]+ 242.00130 152.4
[M-H]- 218.00480 146.3
[M+NH4]+ 237.04590 162.0
[M+K]+ 257.97524 147.6
[M+H-H2O]+ 202.00934 137.9
[M+HCOO]- 264.01028 156.7
[M+CH3COO]- 278.02593 185.1
[M+Na-2H]- 239.98675 145.8
[M]+ 219.01153 145.6
[M]- 219.01263 145.6
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.