CID 877339

93523-13-8

Structural Information

Molecular Formula
C13H11Cl2NOS
SMILES
C1=CSC(=C1)C(=O)CCNC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H11Cl2NOS/c14-10-4-3-9(8-11(10)15)16-6-5-12(17)13-2-1-7-18-13/h1-4,7-8,16H,5-6H2
InChIKey
GKAPCTSOWBDGCC-UHFFFAOYSA-N
Compound name
3-(3,4-dichloroanilino)-1-thiophen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.99384 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.00112 165.2
[M+Na]+ 321.98306 174.5
[M-H]- 297.98656 171.9
[M+NH4]+ 317.02766 183.9
[M+K]+ 337.95700 167.5
[M+H-H2O]+ 281.99110 160.2
[M+HCOO]- 343.99204 176.2
[M+CH3COO]- 358.00769 199.9
[M+Na-2H]- 319.96851 164.8
[M]+ 298.99329 170.3
[M]- 298.99439 170.3
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.