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]+ 232.936336 134.7
[M+Na]+ 254.918278 149.6
[M-H]- 230.921784 141.8
[M+NH4]+ 249.962883 157.9
[M+K]+ 270.892218 136.9
[M+H-H2O]+ 214.926320 136.5
[M+HCOO]- 276.927261 153.1
[M+CH3COO]- 290.942911 187.0
[M+Na-2H]- 252.903726 142.2
[M]+ 231.92851142 156.4
[M]- 231.92960858 156.4
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