CID 677989

77261-21-3

Structural Information

Molecular Formula
C15H14ClNO3S
SMILES
CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCl
InChI
InChI=1S/C15H14ClNO3S/c1-2-20-15(19)13-11(10-6-4-3-5-7-10)9-21-14(13)17-12(18)8-16/h3-7,9H,2,8H2,1H3,(H,17,18)
InChIKey
IWUYJPUGLVYKIK-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-chloroacetyl)amino]-4-phenylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.0383 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.04558 172.9
[M+Na]+ 346.02752 184.2
[M+NH4]+ 341.07212 180.5
[M+K]+ 362.00146 177.3
[M-H]- 322.03102 176.1
[M+Na-2H]- 344.01297 178.7
[M]+ 323.03775 176.0
[M]- 323.03885 176.0
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.