CID 17389862

889939-48-4

Structural Information

Molecular Formula
C8H8Cl2O3S
SMILES
CC1=CC(=C(C=C1Cl)S(=O)(=O)Cl)OC
InChI
InChI=1S/C8H8Cl2O3S/c1-5-3-7(13-2)8(4-6(5)9)14(10,11)12/h3-4H,1-2H3
InChIKey
BJRJHJZVSWZXIP-UHFFFAOYSA-N
Compound name
5-chloro-2-methoxy-4-methylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

253.95712 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.964396 144.3
[M+Na]+ 276.946338 156.3
[M-H]- 252.949844 149.1
[M+NH4]+ 271.990943 164.0
[M+K]+ 292.920278 151.5
[M+H-H2O]+ 236.954380 141.5
[M+HCOO]- 298.955321 153.8
[M+CH3COO]- 312.970971 188.9
[M+Na-2H]- 274.931786 147.6
[M]+ 253.95657142 152.2
[M]- 253.95766858 152.2
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