CID 615774

3-iodobenzohydrazide

Structural Information

Molecular Formula
C7H7IN2O
SMILES
C1=CC(=CC(=C1)I)C(=O)NN
InChI
InChI=1S/C7H7IN2O/c8-6-3-1-2-5(4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
InChIKey
SSWUMULSRFHKKU-UHFFFAOYSA-N
Compound name
3-iodobenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

261.9603 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.96758 145.8
[M+Na]+ 284.94952 145.9
[M-H]- 260.95302 142.3
[M+NH4]+ 279.99412 160.9
[M+K]+ 300.92346 149.9
[M+H-H2O]+ 244.95756 136.0
[M+HCOO]- 306.95850 166.1
[M+CH3COO]- 320.97415 188.3
[M+Na-2H]- 282.93497 139.2
[M]+ 261.95975 140.3
[M]- 261.96085 140.3
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

patents stripe