CID 5479599

3i4eto5no2phcon

Structural Information

Molecular Formula
C9H10IN3O4
SMILES
CCOC1=C(C=C(C=C1I)C(=O)NN)[N+](=O)[O-]
InChI
InChI=1S/C9H10IN3O4/c1-2-17-8-6(10)3-5(9(14)12-11)4-7(8)13(15)16/h3-4H,2,11H2,1H3,(H,12,14)
InChIKey
PGZFQCVNZQFKOK-UHFFFAOYSA-N
Compound name
4-ethoxy-3-iodo-5-nitrobenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.9716 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.97888 171.6
[M+Na]+ 373.96082 171.0
[M-H]- 349.96432 168.3
[M+NH4]+ 369.00542 182.6
[M+K]+ 389.93476 171.4
[M+H-H2O]+ 333.96886 165.1
[M+HCOO]- 395.96980 192.1
[M+CH3COO]- 409.98545 199.2
[M+Na-2H]- 371.94627 163.5
[M]+ 350.97105 167.4
[M]- 350.97215 167.4
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.