CID 21706752

190711-48-9

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

23
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 136.3
[M+Na]+ 228.96966 146.5
[M-H]- 204.97316 139.6
[M+NH4]+ 224.01426 156.3
[M+K]+ 244.94360 142.1
[M+H-H2O]+ 188.97770 132.6
[M+HCOO]- 250.97864 149.8
[M+CH3COO]- 264.99429 176.3
[M+Na-2H]- 226.95511 141.5
[M]+ 205.97989 140.5
[M]- 205.98099 140.5
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