CID 7172109

3,5-dibromo-2-hydroxy-4-methylbenzaldehyde

Structural Information

Molecular Formula
C8H6Br2O2
SMILES
CC1=C(C=C(C(=C1Br)O)C=O)Br
InChI
InChI=1S/C8H6Br2O2/c1-4-6(9)2-5(3-11)8(12)7(4)10/h2-3,12H,1H3
InChIKey
XPWONTZPDIUBII-UHFFFAOYSA-N
Compound name
3,5-dibromo-2-hydroxy-4-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

291.87344 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.880716 136.0
[M+Na]+ 314.862658 148.4
[M-H]- 290.866164 142.4
[M+NH4]+ 309.907263 155.3
[M+K]+ 330.836598 132.6
[M+H-H2O]+ 274.870700 144.2
[M+HCOO]- 336.871641 151.9
[M+CH3COO]- 350.887291 201.6
[M+Na-2H]- 312.848106 142.4
[M]+ 291.87289142 170.6
[M]- 291.87398858 170.6
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