CID 3000940

Uc69

Structural Information

Molecular Formula
C15H14ClNOS2
SMILES
CC1=C(SC=C1)C(=S)NC2=CC(=C(C=C2)Cl)OCC=C
InChI
InChI=1S/C15H14ClNOS2/c1-3-7-18-13-9-11(4-5-12(13)16)17-15(19)14-10(2)6-8-20-14/h3-6,8-9H,1,7H2,2H3,(H,17,19)
InChIKey
QIXNQUPKYOEKJL-UHFFFAOYSA-N
Compound name
N-(4-chloro-3-prop-2-enoxyphenyl)-3-methylthiophene-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

323.02054 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.02782 172.0
[M+Na]+ 346.00976 181.5
[M-H]- 322.01326 179.2
[M+NH4]+ 341.05436 189.9
[M+K]+ 361.98370 173.5
[M+H-H2O]+ 306.01780 166.7
[M+HCOO]- 368.01874 182.0
[M+CH3COO]- 382.03439 205.4
[M+Na-2H]- 343.99521 169.2
[M]+ 323.01999 177.3
[M]- 323.02109 177.3
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

No patent data available for this compound.