CID 3772545

5-chloro-2-hydroxy-3-iodobenzaldehyde

Structural Information

Molecular Formula
C7H4ClIO2
SMILES
C1=C(C=C(C(=C1C=O)O)I)Cl
InChI
InChI=1S/C7H4ClIO2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H
InChIKey
QNSRWUDUYCZRQJ-UHFFFAOYSA-N
Compound name
5-chloro-2-hydroxy-3-iodobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

281.89444 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.901716 137.2
[M+Na]+ 304.883658 141.3
[M-H]- 280.887164 133.5
[M+NH4]+ 299.928263 153.3
[M+K]+ 320.857598 143.2
[M+H-H2O]+ 264.891700 129.8
[M+HCOO]- 326.892641 151.9
[M+CH3COO]- 340.908291 184.8
[M+Na-2H]- 302.869106 131.1
[M]+ 281.89389142 137.2
[M]- 281.89498858 137.2
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