CID 16217757

5-fluoro-2-mercaptobenzyl alcohol

Structural Information

Molecular Formula
C7H7FOS
SMILES
C1=CC(=C(C=C1F)CO)S
InChI
InChI=1S/C7H7FOS/c8-6-1-2-7(10)5(3-6)4-9/h1-3,9-10H,4H2
InChIKey
IGEXHILBHGLPBB-UHFFFAOYSA-N
Compound name
(5-fluoro-2-sulfanylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

158.02016 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02744 125.7
[M+Na]+ 181.00938 135.6
[M-H]- 157.01288 127.7
[M+NH4]+ 176.05398 147.1
[M+K]+ 196.98332 132.4
[M+H-H2O]+ 141.01742 120.1
[M+HCOO]- 203.01836 143.3
[M+CH3COO]- 217.03401 173.5
[M+Na-2H]- 178.99483 129.3
[M]+ 158.01961 126.3
[M]- 158.02071 126.3
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