CID 699491

20886-87-7

Structural Information

Molecular Formula
C11H13ClN2O2S
SMILES
C1CCC2=C(C1)C(=C(S2)NC(=O)CCl)C(=O)N
InChI
InChI=1S/C11H13ClN2O2S/c12-5-8(15)14-11-9(10(13)16)6-3-1-2-4-7(6)17-11/h1-5H2,(H2,13,16)(H,14,15)
InChIKey
XRKRPMKJSPGFRD-UHFFFAOYSA-N
Compound name
2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

272.03864 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.04592 157.4
[M+Na]+ 295.02786 165.4
[M+NH4]+ 290.07246 165.5
[M+K]+ 311.00180 160.1
[M-H]- 271.03136 159.1
[M+Na-2H]- 293.01331 159.7
[M]+ 272.03809 159.3
[M]- 272.03919 159.3
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

patents stripe