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

literature stripe

Patent stripe

patents stripe