CID 3653997

S-benzyl n-(2-fluorophenyl)thiocarbamate

Structural Information

Molecular Formula
C14H12FNOS
SMILES
C1=CC=C(C=C1)CSC(=O)NC2=CC=CC=C2F
InChI
InChI=1S/C14H12FNOS/c15-12-8-4-5-9-13(12)16-14(17)18-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
InChIKey
KTRJISZPYJPNAK-UHFFFAOYSA-N
Compound name
S-benzyl N-(2-fluorophenyl)carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.06238 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.06966 156.3
[M+Na]+ 284.05160 168.9
[M+NH4]+ 279.09620 164.9
[M+K]+ 300.02554 159.2
[M-H]- 260.05510 160.3
[M+Na-2H]- 282.03705 165.0
[M]+ 261.06183 159.7
[M]- 261.06293 159.7
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

No patent data available for this compound.