CID 135468128

5-iodovanillin oxime

Structural Information

Molecular Formula
C8H8INO3
SMILES
COC1=C(C(=CC(=C1)/C=N/O)I)O
InChI
InChI=1S/C8H8INO3/c1-13-7-3-5(4-10-12)2-6(9)8(7)11/h2-4,11-12H,1H3/b10-4+
InChIKey
KYZYXSBHGCSDOF-ONNFQVAWSA-N
Compound name
4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

292.9549 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.96218 150.2
[M+Na]+ 315.94412 152.1
[M-H]- 291.94762 146.3
[M+NH4]+ 310.98872 164.6
[M+K]+ 331.91806 156.0
[M+H-H2O]+ 275.95216 140.8
[M+HCOO]- 337.95310 169.7
[M+CH3COO]- 351.96875 190.1
[M+Na-2H]- 313.92957 143.4
[M]+ 292.95435 149.0
[M]- 292.95545 149.0
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