CID 130120570

2-bromo-5-chloro-4-methoxybenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

247.92397 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.93125 139.9
[M+Na]+ 270.91319 145.4
[M+NH4]+ 265.95779 145.3
[M+K]+ 286.88713 144.4
[M-H]- 246.91669 140.7
[M+Na-2H]- 268.89864 144.0
[M]+ 247.92342 140.1
[M]- 247.92452 140.1
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