CID 3614419

S-propyl n-(3-chlorophenyl)carbamothioate

Structural Information

Molecular Formula
C10H12ClNOS
SMILES
CCCSC(=O)NC1=CC(=CC=C1)Cl
InChI
InChI=1S/C10H12ClNOS/c1-2-6-14-10(13)12-9-5-3-4-8(11)7-9/h3-5,7H,2,6H2,1H3,(H,12,13)
InChIKey
SLIOGZBKHPSYOD-UHFFFAOYSA-N
Compound name
S-propyl N-(3-chlorophenyl)carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.0328 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.04008 147.3
[M+Na]+ 252.02202 155.3
[M-H]- 228.02552 151.1
[M+NH4]+ 247.06662 166.8
[M+K]+ 267.99596 150.5
[M+H-H2O]+ 212.03006 142.2
[M+HCOO]- 274.03100 162.0
[M+CH3COO]- 288.04665 188.5
[M+Na-2H]- 250.00747 149.8
[M]+ 229.03225 151.2
[M]- 229.03335 151.2
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

patents stripe