CID 2760019

19009-45-1

Structural Information

Molecular Formula
C8H8ClNS
SMILES
CN(C1=CC=CC=C1)C(=S)Cl
InChI
InChI=1S/C8H8ClNS/c1-10(8(9)11)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey
VSVGLMSXVIDZDG-UHFFFAOYSA-N
Compound name
N-methyl-N-phenylcarbamothioyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

185.00659 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.01387 135.0
[M+Na]+ 207.99581 143.1
[M-H]- 183.99931 140.4
[M+NH4]+ 203.04041 156.6
[M+K]+ 223.96975 139.8
[M+H-H2O]+ 168.00385 130.1
[M+HCOO]- 230.00479 150.6
[M+CH3COO]- 244.02044 183.6
[M+Na-2H]- 205.98126 138.4
[M]+ 185.00604 137.8
[M]- 185.00714 137.8
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