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 153.6
[M+Na]+ 286.04839 160.9
[M-H]- 262.05189 153.2
[M+NH4]+ 281.09299 170.6
[M+K]+ 302.02233 156.8
[M+H-H2O]+ 246.05643 144.7
[M+HCOO]- 308.05737 167.8
[M+CH3COO]- 322.07302 195.6
[M+Na-2H]- 284.03384 155.0
[M]+ 263.05862 151.9
[M]- 263.05972 151.9
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.