CID 17389862

5-chloro-2-methoxy-4-methylbenzenesulfonyl chloride

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

23
Patents

253.95712 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.96440 151.2
[M+Na]+ 276.94634 165.2
[M+NH4]+ 271.99094 159.5
[M+K]+ 292.92028 156.8
[M-H]- 252.94984 152.1
[M+Na-2H]- 274.93179 156.7
[M]+ 253.95657 154.5
[M]- 253.95767 154.5
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