CID 5492977

2-furoic acid, 5-nitro-, 2-benzo(b)thien-2-ylhydrazide

Structural Information

Molecular Formula
C13H9N3O4S
SMILES
C1=CC=C2C(=C1)C=C(S2)NNC(=O)C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C13H9N3O4S/c17-13(9-5-6-12(20-9)16(18)19)15-14-11-7-8-3-1-2-4-10(8)21-11/h1-7,14H,(H,15,17)
InChIKey
MLQZVFQZIHOONX-UHFFFAOYSA-N
Compound name
N'-(1-benzothiophen-2-yl)-5-nitrofuran-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.03137 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.03865 163.0
[M+Na]+ 326.02059 170.0
[M-H]- 302.02409 172.5
[M+NH4]+ 321.06519 179.9
[M+K]+ 341.99453 163.6
[M+H-H2O]+ 286.02863 161.2
[M+HCOO]- 348.02957 186.9
[M+CH3COO]- 362.04522 197.1
[M+Na-2H]- 324.00604 169.7
[M]+ 303.03082 165.5
[M]- 303.03192 165.5
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.