CID 271537

2-((4-iodo-phenylimino)-methyl)-phenol

Structural Information

Molecular Formula
C13H10INO
SMILES
C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)I)O
InChI
InChI=1S/C13H10INO/c14-11-5-7-12(8-6-11)15-9-10-3-1-2-4-13(10)16/h1-9,16H
InChIKey
CJPPRXDQKLGUFU-UHFFFAOYSA-N
Compound name
2-[(4-iodophenyl)iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

322.9807 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.98798 157.5
[M+Na]+ 345.96992 158.3
[M-H]- 321.97342 156.9
[M+NH4]+ 341.01452 170.7
[M+K]+ 361.94386 160.2
[M+H-H2O]+ 305.97796 146.4
[M+HCOO]- 367.97890 177.9
[M+CH3COO]- 381.99455 197.5
[M+Na-2H]- 343.95537 152.2
[M]+ 322.98015 154.2
[M]- 322.98125 154.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe