CID 55279813

2-hydroxy-3,5-dimethylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H9ClO3S
SMILES
CC1=CC(=C(C(=C1)S(=O)(=O)Cl)O)C
InChI
InChI=1S/C8H9ClO3S/c1-5-3-6(2)8(10)7(4-5)13(9,11)12/h3-4,10H,1-2H3
InChIKey
VDCHDSXNEUWUGQ-UHFFFAOYSA-N
Compound name
2-hydroxy-3,5-dimethylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.9961 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.00338 144.3
[M+Na]+ 242.98532 157.4
[M+NH4]+ 238.02992 152.3
[M+K]+ 258.95926 150.1
[M-H]- 218.98882 144.8
[M+Na-2H]- 240.97077 149.3
[M]+ 219.99555 147.1
[M]- 219.99665 147.1
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.