CID 53235992

799012-78-5

Structural Information

Molecular Formula
C8H8ClNO2S
SMILES
C1[C@@H](O1)CNC(=O)C2=CC=C(S2)Cl
InChI
InChI=1S/C8H8ClNO2S/c9-7-2-1-6(13-7)8(11)10-3-5-4-12-5/h1-2,5H,3-4H2,(H,10,11)/t5-/m0/s1
InChIKey
LLRCNCXTSFGOGG-YFKPBYRVSA-N
Compound name
5-chloro-N-[[(2S)-oxiran-2-yl]methyl]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

216.99643 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.00371 136.6
[M+Na]+ 239.98565 146.7
[M-H]- 215.98915 145.1
[M+NH4]+ 235.03025 151.9
[M+K]+ 255.95959 143.4
[M+H-H2O]+ 199.99369 131.4
[M+HCOO]- 261.99463 152.5
[M+CH3COO]- 276.01028 186.9
[M+Na-2H]- 237.97110 139.7
[M]+ 216.99588 143.5
[M]- 216.99698 143.5
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