CID 801008

3-chlorobenzothiophene-2-carbohydroxamic acid

Structural Information

Molecular Formula
C9H6ClNO2S
SMILES
C1=CC=C2C(=C1)C(=C(S2)C(=O)NO)Cl
InChI
InChI=1S/C9H6ClNO2S/c10-7-5-3-1-2-4-6(5)14-8(7)9(12)11-13/h1-4,13H,(H,11,12)
InChIKey
HRXULFWGEYSULN-UHFFFAOYSA-N
Compound name
3-chloro-N-hydroxy-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

16
Patents

226.98077 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.988046 143.1
[M+Na]+ 249.969988 154.4
[M-H]- 225.973494 147.7
[M+NH4]+ 245.014593 165.1
[M+K]+ 265.943928 149.1
[M+H-H2O]+ 209.978030 139.4
[M+HCOO]- 271.978971 159.1
[M+CH3COO]- 285.994621 184.0
[M+Na-2H]- 247.955436 147.1
[M]+ 226.98022142 148.2
[M]- 226.98131858 148.2
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.