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 137.3
[M+Na]+ 270.91319 152.2
[M-H]- 246.91669 144.5
[M+NH4]+ 265.95779 159.9
[M+K]+ 286.88713 139.9
[M+H-H2O]+ 230.92123 138.9
[M+HCOO]- 292.92217 155.9
[M+CH3COO]- 306.93782 188.9
[M+Na-2H]- 268.89864 144.9
[M]+ 247.92342 160.4
[M]- 247.92452 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