CID 66877838

1192347-87-7

Structural Information

Molecular Formula
C8H9FO3S
SMILES
CS(=O)(=O)C1=C(C=CC(=C1)CO)F
InChI
InChI=1S/C8H9FO3S/c1-13(11,12)8-4-6(5-10)2-3-7(8)9/h2-4,10H,5H2,1H3
InChIKey
CWRDDRJVAVOIKJ-UHFFFAOYSA-N
Compound name
(4-fluoro-3-methylsulfonylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

204.02565 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.032926 137.0
[M+Na]+ 227.014868 147.0
[M-H]- 203.018374 139.0
[M+NH4]+ 222.059473 156.3
[M+K]+ 242.988808 143.7
[M+H-H2O]+ 187.022910 131.3
[M+HCOO]- 249.023851 153.5
[M+CH3COO]- 263.039501 179.3
[M+Na-2H]- 225.000316 140.8
[M]+ 204.02510142 138.9
[M]- 204.02619858 138.9
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