CID 11954768

2-bromo-6-hydroxybenzaldehyde

Structural Information

Molecular Formula
C7H5BrO2
SMILES
C1=CC(=C(C(=C1)Br)C=O)O
InChI
InChI=1S/C7H5BrO2/c8-6-2-1-3-7(10)5(6)4-9/h1-4,10H
InChIKey
LQTXMBDCLHZDAM-UHFFFAOYSA-N
Compound name
2-bromo-6-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

563
Patents

199.9473 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.954576 129.7
[M+Na]+ 222.936518 142.6
[M-H]- 198.940024 135.5
[M+NH4]+ 217.981123 152.2
[M+K]+ 238.910458 131.7
[M+H-H2O]+ 182.944560 130.7
[M+HCOO]- 244.945501 151.5
[M+CH3COO]- 258.961151 178.9
[M+Na-2H]- 220.921966 138.1
[M]+ 199.94675142 148.5
[M]- 199.94784858 148.5
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