CID 47003152

(5-chloro-2-methoxyphenyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C8H8Cl2O3S
SMILES
COC1=C(C=C(C=C1)Cl)CS(=O)(=O)Cl
InChI
InChI=1S/C8H8Cl2O3S/c1-13-8-3-2-7(9)4-6(8)5-14(10,11)12/h2-4H,5H2,1H3
InChIKey
RBXYTWGJFABQSQ-UHFFFAOYSA-N
Compound name
(5-chloro-2-methoxyphenyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

253.95712 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.96440 145.2
[M+Na]+ 276.94634 156.4
[M-H]- 252.94984 149.6
[M+NH4]+ 271.99094 164.6
[M+K]+ 292.92028 151.5
[M+H-H2O]+ 236.95438 142.1
[M+HCOO]- 298.95532 154.7
[M+CH3COO]- 312.97097 187.7
[M+Na-2H]- 274.93179 149.0
[M]+ 253.95657 152.8
[M]- 253.95767 152.8
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

patents stripe