CID 2777684

Ethyl 2-(2-chloroacetamido)thiophene-3-carboxylate

Structural Information

Molecular Formula
C9H10ClNO3S
SMILES
CCOC(=O)C1=C(SC=C1)NC(=O)CCl
InChI
InChI=1S/C9H10ClNO3S/c1-2-14-9(13)6-3-4-15-8(6)11-7(12)5-10/h3-4H,2,5H2,1H3,(H,11,12)
InChIKey
RSUIZUGNNHSTOY-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-chloroacetyl)amino]thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.00699 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.014266 152.9
[M+Na]+ 269.996208 161.0
[M-H]- 245.999714 157.1
[M+NH4]+ 265.040813 173.2
[M+K]+ 285.970148 157.7
[M+H-H2O]+ 230.004250 148.1
[M+HCOO]- 292.005191 168.3
[M+CH3COO]- 306.020841 189.6
[M+Na-2H]- 267.981656 152.7
[M]+ 247.00644142 158.7
[M]- 247.00753858 158.7
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.