CID 212222

Brn 3065695

Structural Information

Molecular Formula
C14H12I2N2O2
SMILES
C1=CC=C(C=C1)COC2=C(C=C(C=C2I)C(=O)NN)I
InChI
InChI=1S/C14H12I2N2O2/c15-11-6-10(14(19)18-17)7-12(16)13(11)20-8-9-4-2-1-3-5-9/h1-7H,8,17H2,(H,18,19)
InChIKey
HXOBIINXBGJSFO-UHFFFAOYSA-N
Compound name
3,5-diiodo-4-phenylmethoxybenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.89883 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.90611 190.5
[M+Na]+ 516.88805 182.5
[M-H]- 492.89155 183.7
[M+NH4]+ 511.93265 195.0
[M+K]+ 532.86199 190.7
[M+H-H2O]+ 476.89609 176.1
[M+HCOO]- 538.89703 202.3
[M+CH3COO]- 552.91268 221.9
[M+Na-2H]- 514.87350 174.8
[M]+ 493.89828 184.4
[M]- 493.89938 184.4
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.