CID 5220397

10129-41-6

Structural Information

Molecular Formula
C10H11Cl2NOS
SMILES
CC(C)SC(=O)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C10H11Cl2NOS/c1-6(2)15-10(14)13-7-3-4-8(11)9(12)5-7/h3-6H,1-2H3,(H,13,14)
InChIKey
DJVACRBOIDNKHR-UHFFFAOYSA-N
Compound name
S-propan-2-yl N-(3,4-dichlorophenyl)carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.99384 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.00112 151.8
[M+Na]+ 285.98306 160.5
[M-H]- 261.98656 155.6
[M+NH4]+ 281.02766 170.5
[M+K]+ 301.95700 155.0
[M+H-H2O]+ 245.99110 148.2
[M+HCOO]- 307.99204 160.6
[M+CH3COO]- 322.00769 195.0
[M+Na-2H]- 283.96851 152.0
[M]+ 262.99329 156.5
[M]- 262.99439 156.5
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.