CID 50987712

2-(3-methylphenyl)ethene-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H9ClO2S
SMILES
CC1=CC(=CC=C1)/C=C/S(=O)(=O)Cl
InChI
InChI=1S/C9H9ClO2S/c1-8-3-2-4-9(7-8)5-6-13(10,11)12/h2-7H,1H3/b6-5+
InChIKey
NYKABIRJQVVNMF-AATRIKPKSA-N
Compound name
(E)-2-(3-methylphenyl)ethenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.00117 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.00845 141.2
[M+Na]+ 238.99039 151.5
[M-H]- 214.99389 145.7
[M+NH4]+ 234.03499 161.5
[M+K]+ 254.96433 146.4
[M+H-H2O]+ 198.99843 137.1
[M+HCOO]- 260.99937 155.4
[M+CH3COO]- 275.01502 181.3
[M+Na-2H]- 236.97584 145.6
[M]+ 216.00062 145.7
[M]- 216.00172 145.7
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.