CID 115461317

1549872-48-1

Structural Information

Molecular Formula
C10H11ClO4S
SMILES
COC(=O)CC1=CC=CC=C1CS(=O)(=O)Cl
InChI
InChI=1S/C10H11ClO4S/c1-15-10(12)6-8-4-2-3-5-9(8)7-16(11,13)14/h2-5H,6-7H2,1H3
InChIKey
FAXGVMVWVAYIAM-UHFFFAOYSA-N
Compound name
methyl 2-[2-(chlorosulfonylmethyl)phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.00665 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.01393 154.6
[M+Na]+ 284.99587 166.4
[M+NH4]+ 280.04047 161.7
[M+K]+ 300.96981 159.2
[M-H]- 260.99937 154.5
[M+Na-2H]- 282.98132 159.4
[M]+ 262.00610 156.9
[M]- 262.00720 156.9
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.