CID 21973861

5-bromo-2-iodobenzaldehyde

Structural Information

Molecular Formula
C7H4BrIO
SMILES
C1=CC(=C(C=C1Br)C=O)I
InChI
InChI=1S/C7H4BrIO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H
InChIKey
MOELYMOGQIDKNW-UHFFFAOYSA-N
Compound name
5-bromo-2-iodobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
Patents

309.84903 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.85631 139.4
[M+Na]+ 332.83825 145.6
[M-H]- 308.84175 139.5
[M+NH4]+ 327.88285 157.5
[M+K]+ 348.81219 140.8
[M+H-H2O]+ 292.84629 136.4
[M+HCOO]- 354.84723 157.3
[M+CH3COO]- 368.86288 190.4
[M+Na-2H]- 330.82370 136.3
[M]+ 309.84848 155.1
[M]- 309.84958 155.1
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