CID 83271809

3-chloro-5-(methoxymethyl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H8Cl2O3S
SMILES
COCC1=CC(=CC(=C1)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C8H8Cl2O3S/c1-13-5-6-2-7(9)4-8(3-6)14(10,11)12/h2-4H,5H2,1H3
InChIKey
RHVUISRGWFLLIP-UHFFFAOYSA-N
Compound name
3-chloro-5-(methoxymethyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.95712 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.96440 150.9
[M+Na]+ 276.94634 164.7
[M+NH4]+ 271.99094 159.3
[M+K]+ 292.92028 156.1
[M-H]- 252.94984 151.8
[M+Na-2H]- 274.93179 156.7
[M]+ 253.95657 154.2
[M]- 253.95767 154.2
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

No patent data available for this compound.