CID 4680894

Benzaldehyde, 3-iodo-, oxime

Structural Information

Molecular Formula
C7H6INO
SMILES
C1=CC(=CC(=C1)I)C=NO
InChI
InChI=1S/C7H6INO/c8-7-3-1-2-6(4-7)5-9-10/h1-5,10H
InChIKey
OICWFLFKJWZKBH-UHFFFAOYSA-N
Compound name
N-[(3-iodophenyl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

246.94942 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.956696 137.2
[M+Na]+ 269.938638 138.4
[M-H]- 245.942144 134.1
[M+NH4]+ 264.983243 153.6
[M+K]+ 285.912578 142.3
[M+H-H2O]+ 229.946680 127.9
[M+HCOO]- 291.947621 158.2
[M+CH3COO]- 305.963271 183.4
[M+Na-2H]- 267.924086 133.0
[M]+ 246.94887142 134.1
[M]- 246.94996858 134.1
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