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]+ 227.98805 143.1
[M+Na]+ 249.96999 154.4
[M-H]- 225.97349 147.7
[M+NH4]+ 245.01459 165.1
[M+K]+ 265.94393 149.1
[M+H-H2O]+ 209.97803 139.4
[M+HCOO]- 271.97897 159.1
[M+CH3COO]- 285.99462 184.0
[M+Na-2H]- 247.95544 147.1
[M]+ 226.98022 148.2
[M]- 226.98132 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.