CID 89419680

2-amino-5-bromo-4-chlorobenzaldehyde

Structural Information

Molecular Formula
C7H5BrClNO
SMILES
C1=C(C(=CC(=C1Br)Cl)N)C=O
InChI
InChI=1S/C7H5BrClNO/c8-5-1-4(3-11)7(10)2-6(5)9/h1-3H,10H2
InChIKey
PROWVWALAHUEHK-UHFFFAOYSA-N
Compound name
2-amino-5-bromo-4-chlorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

232.9243 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.931576 136.2
[M+Na]+ 255.913518 150.5
[M-H]- 231.917024 142.7
[M+NH4]+ 250.958123 158.6
[M+K]+ 271.887458 137.1
[M+H-H2O]+ 215.921560 137.2
[M+HCOO]- 277.922501 155.1
[M+CH3COO]- 291.938151 188.0
[M+Na-2H]- 253.898966 143.1
[M]+ 232.92375142 155.7
[M]- 232.92484858 155.7
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