CID 53019

74305-97-8

Structural Information

Molecular Formula
C13H11IN2O
SMILES
C1=CC=C(C=C1)NNC(=O)C2=CC(=CC=C2)I
InChI
InChI=1S/C13H11IN2O/c14-11-6-4-5-10(9-11)13(17)16-15-12-7-2-1-3-8-12/h1-9,15H,(H,16,17)
InChIKey
JKZZGXXZSADHRO-UHFFFAOYSA-N
Compound name
3-iodo-N'-phenylbenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.9916 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.99888 164.8
[M+Na]+ 360.98082 163.6
[M-H]- 336.98432 163.9
[M+NH4]+ 356.02542 176.7
[M+K]+ 376.95476 165.8
[M+H-H2O]+ 320.98886 153.1
[M+HCOO]- 382.98980 185.1
[M+CH3COO]- 397.00545 202.0
[M+Na-2H]- 358.96627 159.1
[M]+ 337.99105 159.8
[M]- 337.99215 159.8
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.