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 150.2
[M+Na]+ 250.04276 162.3
[M+NH4]+ 245.08736 159.6
[M+K]+ 266.01670 153.0
[M-H]- 226.04626 153.3
[M+Na-2H]- 248.02821 156.3
[M]+ 227.05299 153.5
[M]- 227.05409 153.5
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.