CID 2757015

3-bromo-2-hydroxy-5-methylbenzaldehyde

Structural Information

Molecular Formula
C8H7BrO2
SMILES
CC1=CC(=C(C(=C1)Br)O)C=O
InChI
InChI=1S/C8H7BrO2/c1-5-2-6(4-10)8(11)7(9)3-5/h2-4,11H,1H3
InChIKey
LCZDQTSSLMAXCI-UHFFFAOYSA-N
Compound name
3-bromo-2-hydroxy-5-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

213.96294 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.97022 133.5
[M+Na]+ 236.95216 146.8
[M-H]- 212.95566 139.4
[M+NH4]+ 231.99676 155.8
[M+K]+ 252.92610 135.7
[M+H-H2O]+ 196.96020 134.4
[M+HCOO]- 258.96114 155.0
[M+CH3COO]- 272.97679 182.8
[M+Na-2H]- 234.93761 140.8
[M]+ 213.96239 153.0
[M]- 213.96349 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

literature stripe

Patent stripe

patents stripe