CID 3034465

Thiourea, n'-(4-chloro-2-methylphenyl)-n,n-dimethyl-

Structural Information

Molecular Formula
C10H13ClN2S
SMILES
CC1=C(C=CC(=C1)Cl)NC(=S)N(C)C
InChI
InChI=1S/C10H13ClN2S/c1-7-6-8(11)4-5-9(7)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)
InChIKey
IBZZDPVVVSNQOY-UHFFFAOYSA-N
Compound name
3-(4-chloro-2-methylphenyl)-1,1-dimethylthiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3630
Patents

228.0488 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.05608 148.4
[M+Na]+ 251.03802 156.6
[M-H]- 227.04152 154.0
[M+NH4]+ 246.08262 168.5
[M+K]+ 267.01196 152.6
[M+H-H2O]+ 211.04606 143.1
[M+HCOO]- 273.04700 164.2
[M+CH3COO]- 287.06265 196.0
[M+Na-2H]- 249.02347 149.8
[M]+ 228.04825 151.8
[M]- 228.04935 151.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe