CID 3033448

Benzamide, p-chloro-n-isobutyl-thio-

Structural Information

Molecular Formula
C11H14ClNS
SMILES
CC(C)CNC(=S)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C11H14ClNS/c1-8(2)7-13-11(14)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKey
LLWCWIZIBBTTPU-UHFFFAOYSA-N
Compound name
4-chloro-N-(2-methylpropyl)benzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.05354 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06082 148.2
[M+Na]+ 250.04276 155.5
[M-H]- 226.04626 151.9
[M+NH4]+ 245.08736 167.7
[M+K]+ 266.01670 150.4
[M+H-H2O]+ 210.05080 143.2
[M+HCOO]- 272.05174 161.3
[M+CH3COO]- 286.06739 191.0
[M+Na-2H]- 248.02821 149.0
[M]+ 227.05299 150.6
[M]- 227.05409 150.6
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.