CID 2759923

N-methyl-n-(4-methylphenyl)thiocarbamoyl chloride

Structural Information

Molecular Formula
C9H10ClNS
SMILES
CC1=CC=C(C=C1)N(C)C(=S)Cl
InChI
InChI=1S/C9H10ClNS/c1-7-3-5-8(6-4-7)11(2)9(10)12/h3-6H,1-2H3
InChIKey
FEZXLOXGKBWRCH-UHFFFAOYSA-N
Compound name
N-methyl-N-(4-methylphenyl)carbamothioyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.02225 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.02953 138.9
[M+Na]+ 222.01147 147.4
[M-H]- 198.01497 144.4
[M+NH4]+ 217.05607 160.2
[M+K]+ 237.98541 143.9
[M+H-H2O]+ 182.01951 134.0
[M+HCOO]- 244.02045 154.1
[M+CH3COO]- 258.03610 187.7
[M+Na-2H]- 219.99692 141.1
[M]+ 199.02170 142.4
[M]- 199.02280 142.4
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.