CID 522175

(2-fluorophenyl)methanethiol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

216
Patents

142.02525 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03253 122.0
[M+Na]+ 165.01447 131.5
[M-H]- 141.01797 125.1
[M+NH4]+ 160.05907 144.5
[M+K]+ 180.98841 128.9
[M+H-H2O]+ 125.02251 116.2
[M+HCOO]- 187.02345 140.9
[M+CH3COO]- 201.03910 173.2
[M+Na-2H]- 162.99992 126.6
[M]+ 142.02470 122.7
[M]- 142.02580 122.7
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