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

35
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

No literature data available for this compound.

Patent stripe

patents stripe