CID 468646

1-benzofuran-2-carbohydrazide

Structural Information

Molecular Formula
C9H8N2O2
SMILES
C1=CC=C2C(=C1)C=C(O2)C(=O)NN
InChI
InChI=1S/C9H8N2O2/c10-11-9(12)8-5-6-3-1-2-4-7(6)13-8/h1-5H,10H2,(H,11,12)
InChIKey
SYUDUCVHYKSSNV-UHFFFAOYSA-N
Compound name
1-benzofuran-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

52
Patents

176.05858 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 132.9
[M+Na]+ 199.04780 141.9
[M-H]- 175.05130 138.5
[M+NH4]+ 194.09240 153.9
[M+K]+ 215.02174 140.6
[M+H-H2O]+ 159.05584 127.1
[M+HCOO]- 221.05678 159.7
[M+CH3COO]- 235.07243 182.2
[M+Na-2H]- 197.03325 141.5
[M]+ 176.05803 133.8
[M]- 176.05913 133.8
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