CID 155973530

[(2-fluoropyridin-3-yl)sulfanyl](phenyl)methanone

Structural Information

Molecular Formula
C12H8FNOS
SMILES
C1=CC=C(C=C1)C(=O)SC2=C(N=CC=C2)F
InChI
InChI=1S/C12H8FNOS/c13-11-10(7-4-8-14-11)16-12(15)9-5-2-1-3-6-9/h1-8H
InChIKey
OWNVRDZVXTUNNZ-UHFFFAOYSA-N
Compound name
S-(2-fluoropyridin-3-yl) benzenecarbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.03107 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.03835 146.5
[M+Na]+ 256.02029 155.5
[M-H]- 232.02379 151.0
[M+NH4]+ 251.06489 163.5
[M+K]+ 271.99423 150.9
[M+H-H2O]+ 216.02833 138.1
[M+HCOO]- 278.02927 163.6
[M+CH3COO]- 292.04492 187.6
[M+Na-2H]- 254.00574 150.2
[M]+ 233.03052 147.0
[M]- 233.03162 147.0
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

No patent data available for this compound.