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

24
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 144.3
[M+Na]+ 276.94634 156.3
[M-H]- 252.94984 149.1
[M+NH4]+ 271.99094 164.0
[M+K]+ 292.92028 151.5
[M+H-H2O]+ 236.95438 141.5
[M+HCOO]- 298.95532 153.8
[M+CH3COO]- 312.97097 188.9
[M+Na-2H]- 274.93179 147.6
[M]+ 253.95657 152.2
[M]- 253.95767 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