CID 52006

73664-00-3

Structural Information

Molecular Formula
C11H17ClNO2S
SMILES
C[N+](C)(C)CCS(=O)(=O)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C11H17ClNO2S/c1-13(2,3)8-9-16(14,15)11-6-4-10(12)5-7-11/h4-7H,8-9H2,1-3H3/q+1
InChIKey
BSUBAMCFVQUAPJ-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)sulfonylethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.06686 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.07414 152.2
[M+Na]+ 285.05608 160.7
[M-H]- 261.05958 157.9
[M+NH4]+ 280.10068 170.9
[M+K]+ 301.03002 151.4
[M+H-H2O]+ 245.06412 150.1
[M+HCOO]- 307.06506 166.0
[M+CH3COO]- 321.08071 189.7
[M+Na-2H]- 283.04153 160.0
[M]+ 262.06631 156.7
[M]- 262.06741 156.7
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.