CID 112594375

[3-chloro-5-(ethanesulfonyl)phenyl]methanol

Structural Information

Molecular Formula
C9H11ClO3S
SMILES
CCS(=O)(=O)C1=CC(=CC(=C1)CO)Cl
InChI
InChI=1S/C9H11ClO3S/c1-2-14(12,13)9-4-7(6-11)3-8(10)5-9/h3-5,11H,2,6H2,1H3
InChIKey
NCPIPZLVUACVJQ-UHFFFAOYSA-N
Compound name
(3-chloro-5-ethylsulfonylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

234.01175 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.01903 144.6
[M+Na]+ 257.00097 154.8
[M-H]- 233.00447 147.9
[M+NH4]+ 252.04557 163.7
[M+K]+ 272.97491 149.9
[M+H-H2O]+ 217.00901 140.7
[M+HCOO]- 279.00995 157.3
[M+CH3COO]- 293.02560 183.4
[M+Na-2H]- 254.98642 148.2
[M]+ 234.01120 149.9
[M]- 234.01230 149.9
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