CID 145768983

2-amino-5-bromo-3-iodobenzaldehyde

Structural Information

Molecular Formula
C7H5BrINO
SMILES
C1=C(C=C(C(=C1C=O)N)I)Br
InChI
InChI=1S/C7H5BrINO/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H,10H2
InChIKey
WZJYTCBHIWMEJF-UHFFFAOYSA-N
Compound name
2-amino-5-bromo-3-iodobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

324.85992 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.86720 147.3
[M+Na]+ 347.84914 153.1
[M-H]- 323.85264 147.0
[M+NH4]+ 342.89374 164.3
[M+K]+ 363.82308 147.5
[M+H-H2O]+ 307.85718 143.3
[M+HCOO]- 369.85812 165.1
[M+CH3COO]- 383.87377 195.0
[M+Na-2H]- 345.83459 142.2
[M]+ 324.85937 161.5
[M]- 324.86047 161.5
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