CID 2761411

(3-fluorophenyl)methanethiol

Structural Information

Molecular Formula
C7H7FS
SMILES
C1=CC(=CC(=C1)F)CS
InChI
InChI=1S/C7H7FS/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
InChIKey
PMZGGJCLPBGARD-UHFFFAOYSA-N
Compound name
(3-fluorophenyl)methanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

142.02525 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03253 125.4
[M+Na]+ 165.01447 138.5
[M+NH4]+ 160.05907 135.5
[M+K]+ 180.98841 129.2
[M-H]- 141.01797 127.7
[M+Na-2H]- 162.99992 132.7
[M]+ 142.02470 128.5
[M]- 142.02580 128.5
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