CID 4116276

S-propyl n-(3-(trifluoromethyl)phenyl)thiolcarbamate

Structural Information

Molecular Formula
C11H12F3NOS
SMILES
CCCSC(=O)NC1=CC=CC(=C1)C(F)(F)F
InChI
InChI=1S/C11H12F3NOS/c1-2-6-17-10(16)15-9-5-3-4-8(7-9)11(12,13)14/h3-5,7H,2,6H2,1H3,(H,15,16)
InChIKey
XEAWRHSAUAMZCR-UHFFFAOYSA-N
Compound name
S-propyl N-[3-(trifluoromethyl)phenyl]carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.05917 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.06645 158.9
[M+Na]+ 286.04839 166.3
[M+NH4]+ 281.09299 164.3
[M+K]+ 302.02233 159.4
[M-H]- 262.05189 156.2
[M+Na-2H]- 284.03384 161.9
[M]+ 263.05862 159.3
[M]- 263.05972 159.3
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.