CID 82160163

1267337-52-9

Structural Information

Molecular Formula
C9H10Cl2O3S
SMILES
COC1=C(C=C(C=C1)CCS(=O)(=O)Cl)Cl
InChI
InChI=1S/C9H10Cl2O3S/c1-14-9-3-2-7(6-8(9)10)4-5-15(11,12)13/h2-3,6H,4-5H2,1H3
InChIKey
FYXZIOZXBBBFTB-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-methoxyphenyl)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.97278 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.98006 149.7
[M+Na]+ 290.96200 160.5
[M-H]- 266.96550 154.0
[M+NH4]+ 286.00660 168.6
[M+K]+ 306.93594 155.3
[M+H-H2O]+ 250.97004 146.4
[M+HCOO]- 312.97098 158.9
[M+CH3COO]- 326.98663 190.6
[M+Na-2H]- 288.94745 153.1
[M]+ 267.97223 157.6
[M]- 267.97333 157.6
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.