CID 2758621

83508-64-9

Structural Information

Molecular Formula
C10H12ClNS
SMILES
CC1=CC(=CC(=C1)N(C)C(=S)Cl)C
InChI
InChI=1S/C10H12ClNS/c1-7-4-8(2)6-9(5-7)12(3)10(11)13/h4-6H,1-3H3
InChIKey
AJSUMYQXBHXRRT-UHFFFAOYSA-N
Compound name
N-(3,5-dimethylphenyl)-N-methylcarbamothioyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.0379 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.04518 142.7
[M+Na]+ 236.02712 151.7
[M-H]- 212.03062 148.4
[M+NH4]+ 231.07172 163.7
[M+K]+ 252.00106 147.9
[M+H-H2O]+ 196.03516 137.8
[M+HCOO]- 258.03610 157.5
[M+CH3COO]- 272.05175 191.8
[M+Na-2H]- 234.01257 143.8
[M]+ 213.03735 146.9
[M]- 213.03845 146.9
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.