CID 15699830

3-bromo-6-hydroxy-2-methylbenzaldehyde

Structural Information

Molecular Formula
C8H7BrO2
SMILES
CC1=C(C=CC(=C1C=O)O)Br
InChI
InChI=1S/C8H7BrO2/c1-5-6(4-10)8(11)3-2-7(5)9/h2-4,11H,1H3
InChIKey
GYSFTNVHSLJTCO-UHFFFAOYSA-N
Compound name
3-bromo-6-hydroxy-2-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

213.96294 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.970216 133.5
[M+Na]+ 236.952158 146.8
[M-H]- 212.955664 139.4
[M+NH4]+ 231.996763 155.8
[M+K]+ 252.926098 135.7
[M+H-H2O]+ 196.960200 134.4
[M+HCOO]- 258.961141 155.0
[M+CH3COO]- 272.976791 182.8
[M+Na-2H]- 234.937606 140.8
[M]+ 213.96239142 153.0
[M]- 213.96348858 153.0
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