CID 22262728

5-amino-1-benzofuran-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C9H7NO3
SMILES
C1=CC2=C(C=C1N)C=C(O2)C(=O)O
InChI
InChI=1S/C9H7NO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,10H2,(H,11,12)
InChIKey
IIBKBXGCIDLMOP-UHFFFAOYSA-N
Compound name
5-amino-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

177.04259 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04987 132.2
[M+Na]+ 200.03181 142.5
[M-H]- 176.03531 136.9
[M+NH4]+ 195.07641 153.0
[M+K]+ 216.00575 140.9
[M+H-H2O]+ 160.03985 127.2
[M+HCOO]- 222.04079 156.7
[M+CH3COO]- 236.05644 178.7
[M+Na-2H]- 198.01726 139.3
[M]+ 177.04204 134.0
[M]- 177.04314 134.0
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