CID 56604243

4-bromo-3-chloro-2-methylbenzaldehyde

Structural Information

Molecular Formula
C8H6BrClO
SMILES
CC1=C(C=CC(=C1Cl)Br)C=O
InChI
InChI=1S/C8H6BrClO/c1-5-6(4-11)2-3-7(9)8(5)10/h2-4H,1H3
InChIKey
RWHAUUYYMOTLNP-UHFFFAOYSA-N
Compound name
4-bromo-3-chloro-2-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

231.92906 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.93634 136.7
[M+Na]+ 254.91828 142.6
[M+NH4]+ 249.96288 142.6
[M+K]+ 270.89222 141.2
[M-H]- 230.92178 137.9
[M+Na-2H]- 252.90373 141.3
[M]+ 231.92851 137.1
[M]- 231.92961 137.1
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