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

9
Patents

246.94942 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.95670 137.2
[M+Na]+ 269.93864 138.4
[M-H]- 245.94214 134.1
[M+NH4]+ 264.98324 153.6
[M+K]+ 285.91258 142.3
[M+H-H2O]+ 229.94668 127.9
[M+HCOO]- 291.94762 158.2
[M+CH3COO]- 305.96327 183.4
[M+Na-2H]- 267.92409 133.0
[M]+ 246.94887 134.1
[M]- 246.94997 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