CID 2759039

4-fluoro-4'-(methylthio)benzhydrol

Structural Information

Molecular Formula
C14H13FOS
SMILES
CSC1=CC=C(C=C1)C(C2=CC=C(C=C2)F)O
InChI
InChI=1S/C14H13FOS/c1-17-13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9,14,16H,1H3
InChIKey
LDKVLIOZSUOIRZ-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)-(4-methylsulfanylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

248.06711 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.07439 151.7
[M+Na]+ 271.05633 159.7
[M-H]- 247.05983 156.1
[M+NH4]+ 266.10093 168.9
[M+K]+ 287.03027 154.6
[M+H-H2O]+ 231.06437 144.2
[M+HCOO]- 293.06531 167.6
[M+CH3COO]- 307.08096 191.0
[M+Na-2H]- 269.04178 153.2
[M]+ 248.06656 151.7
[M]- 248.06766 151.7
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