CID 21706752

4-(hydroxymethyl)benzenesulfonyl chloride

Structural Information

Molecular Formula
C7H7ClO3S
SMILES
C1=CC(=CC=C1CO)S(=O)(=O)Cl
InChI
InChI=1S/C7H7ClO3S/c8-12(10,11)7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
InChIKey
IYTNNJUECQRDAI-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

205.98044 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.98772 139.5
[M+Na]+ 228.96966 152.2
[M+NH4]+ 224.01426 147.8
[M+K]+ 244.94360 144.7
[M-H]- 204.97316 140.1
[M+Na-2H]- 226.95511 145.3
[M]+ 205.97989 142.2
[M]- 205.98099 142.2
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