CID 84803773

2-bromo-4-chloro-6-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H6BrClO2
SMILES
COC1=C(C(=CC(=C1)Cl)Br)C=O
InChI
InChI=1S/C8H6BrClO2/c1-12-8-3-5(10)2-7(9)6(8)4-11/h2-4H,1H3
InChIKey
NWOKGGJJAVPJEG-UHFFFAOYSA-N
Compound name
2-bromo-4-chloro-6-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

247.92397 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.931246 137.3
[M+Na]+ 270.913188 152.2
[M-H]- 246.916694 144.5
[M+NH4]+ 265.957793 159.9
[M+K]+ 286.887128 139.9
[M+H-H2O]+ 230.921230 138.9
[M+HCOO]- 292.922171 155.9
[M+CH3COO]- 306.937821 188.9
[M+Na-2H]- 268.898636 144.9
[M]+ 247.92342142 160.4
[M]- 247.92451858 160.4
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