CID 428984

3382-68-1

Structural Information

Molecular Formula
C14H12INO2
SMILES
COC1=CC=CC(=C1O)C=NC2=CC=C(C=C2)I
InChI
InChI=1S/C14H12INO2/c1-18-13-4-2-3-10(14(13)17)9-16-12-7-5-11(15)6-8-12/h2-9,17H,1H3
InChIKey
BTSADZVEHYYJKP-UHFFFAOYSA-N
Compound name
2-[(4-iodophenyl)iminomethyl]-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.99127 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.99855 166.2
[M+Na]+ 375.98049 167.4
[M-H]- 351.98399 165.9
[M+NH4]+ 371.02509 178.5
[M+K]+ 391.95443 169.6
[M+H-H2O]+ 335.98853 154.8
[M+HCOO]- 397.98947 186.4
[M+CH3COO]- 412.00512 203.4
[M+Na-2H]- 373.96594 159.6
[M]+ 352.99072 164.9
[M]- 352.99182 164.9
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.