CID 4066019

4-bromo-2-hydroxybenzaldehyde

Structural Information

Molecular Formula
C7H5BrO2
SMILES
C1=CC(=C(C=C1Br)O)C=O
InChI
InChI=1S/C7H5BrO2/c8-6-2-1-5(4-9)7(10)3-6/h1-4,10H
InChIKey
HXTWKHXDFATMSP-UHFFFAOYSA-N
Compound name
4-bromo-2-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1328
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

literature stripe

Patent stripe

patents stripe