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 141.9
[M+Na]+ 227.01487 152.9
[M+NH4]+ 222.05947 148.9
[M+K]+ 242.98881 146.3
[M-H]- 203.01837 140.9
[M+Na-2H]- 225.00032 146.3
[M]+ 204.02510 143.5
[M]- 204.02620 143.5
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