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

611
Patents

199.9473 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.95458 129.7
[M+Na]+ 222.93652 142.6
[M-H]- 198.94002 135.5
[M+NH4]+ 217.98112 152.2
[M+K]+ 238.91046 131.7
[M+H-H2O]+ 182.94456 130.7
[M+HCOO]- 244.94550 151.5
[M+CH3COO]- 258.96115 178.9
[M+Na-2H]- 220.92197 138.1
[M]+ 199.94675 148.5
[M]- 199.94785 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