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

42
Patents

204.02565 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.03293 137.0
[M+Na]+ 227.01487 147.0
[M-H]- 203.01837 139.0
[M+NH4]+ 222.05947 156.3
[M+K]+ 242.98881 143.7
[M+H-H2O]+ 187.02291 131.3
[M+HCOO]- 249.02385 153.5
[M+CH3COO]- 263.03950 179.3
[M+Na-2H]- 225.00032 140.8
[M]+ 204.02510 138.9
[M]- 204.02620 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