CID 84710849

1780483-02-4

Structural Information

Molecular Formula
C10H11ClO4S
SMILES
CC(C1=CC=C(C=C1)S(=O)(=O)Cl)C(=O)OC
InChI
InChI=1S/C10H11ClO4S/c1-7(10(12)15-2)8-3-5-9(6-4-8)16(11,13)14/h3-7H,1-2H3
InChIKey
KQKQOZUYKPSFKL-UHFFFAOYSA-N
Compound name
methyl 2-(4-chlorosulfonylphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.00665 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.013926 150.3
[M+Na]+ 284.995868 159.2
[M-H]- 260.999374 154.8
[M+NH4]+ 280.040473 168.5
[M+K]+ 300.969808 156.0
[M+H-H2O]+ 245.003910 145.9
[M+HCOO]- 307.004851 162.7
[M+CH3COO]- 321.020501 190.0
[M+Na-2H]- 282.981316 152.7
[M]+ 262.00610142 157.0
[M]- 262.00719858 157.0
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.