CID 212260

Brn 3060273

Structural Information

Molecular Formula
C10H12I2N2O2
SMILES
CC(C)OC1=C(C=C(C=C1I)C(=O)NN)I
InChI
InChI=1S/C10H12I2N2O2/c1-5(2)16-9-7(11)3-6(4-8(9)12)10(15)14-13/h3-5H,13H2,1-2H3,(H,14,15)
InChIKey
DCVRENSZNGKLTQ-UHFFFAOYSA-N
Compound name
3,5-diiodo-4-propan-2-yloxybenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.89883 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.90611 173.4
[M+Na]+ 468.88805 165.8
[M-H]- 444.89155 165.1
[M+NH4]+ 463.93265 180.2
[M+K]+ 484.86199 175.9
[M+H-H2O]+ 428.89609 160.9
[M+HCOO]- 490.89703 184.8
[M+CH3COO]- 504.91268 216.6
[M+Na-2H]- 466.87350 156.7
[M]+ 445.89828 168.2
[M]- 445.89938 168.2
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.