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

28
Patents

232.9243 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.93158 136.2
[M+Na]+ 255.91352 150.5
[M-H]- 231.91702 142.7
[M+NH4]+ 250.95812 158.6
[M+K]+ 271.88746 137.1
[M+H-H2O]+ 215.92156 137.2
[M+HCOO]- 277.92250 155.1
[M+CH3COO]- 291.93815 188.0
[M+Na-2H]- 253.89897 143.1
[M]+ 232.92375 155.7
[M]- 232.92485 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