CID 67789

4-fluorothiophenol

Structural Information

Molecular Formula
C6H5FS
SMILES
C1=CC(=CC=C1F)S
InChI
InChI=1S/C6H5FS/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKey
OKIHXNKYYGUVTE-UHFFFAOYSA-N
Compound name
4-fluorobenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

7398
Patents

128.0096 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.01688 117.4
[M+Na]+ 150.99882 127.4
[M-H]- 127.00232 120.7
[M+NH4]+ 146.04342 140.5
[M+K]+ 166.97276 125.0
[M+H-H2O]+ 111.00686 111.8
[M+HCOO]- 173.00780 136.6
[M+CH3COO]- 187.02345 170.1
[M+Na-2H]- 148.98427 122.6
[M]+ 128.00905 117.7
[M]- 128.01015 117.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe