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 155.6
[M+Na]+ 284.05160 162.8
[M-H]- 260.05510 161.0
[M+NH4]+ 279.09620 172.4
[M+K]+ 300.02554 157.7
[M+H-H2O]+ 244.05964 147.2
[M+HCOO]- 306.06058 174.2
[M+CH3COO]- 320.07623 195.1
[M+Na-2H]- 282.03705 158.7
[M]+ 261.06183 155.5
[M]- 261.06293 155.5
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.