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]+ 235.019026 144.6
[M+Na]+ 257.000968 154.8
[M-H]- 233.004474 147.9
[M+NH4]+ 252.045573 163.7
[M+K]+ 272.974908 149.9
[M+H-H2O]+ 217.009010 140.7
[M+HCOO]- 279.009951 157.3
[M+CH3COO]- 293.025601 183.4
[M+Na-2H]- 254.986416 148.2
[M]+ 234.01120142 149.9
[M]- 234.01229858 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