CID 18701750

3-bromo-5-fluoro-4-hydroxybenzaldehyde

Structural Information

Molecular Formula
C7H4BrFO2
SMILES
C1=C(C=C(C(=C1F)O)Br)C=O
InChI
InChI=1S/C7H4BrFO2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H
InChIKey
FSLFKQZWBRMALB-UHFFFAOYSA-N
Compound name
3-bromo-5-fluoro-4-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

217.93787 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.94515 132.8
[M+Na]+ 240.92709 146.5
[M-H]- 216.93059 137.5
[M+NH4]+ 235.97169 154.8
[M+K]+ 256.90103 135.1
[M+H-H2O]+ 200.93513 132.9
[M+HCOO]- 262.93607 153.6
[M+CH3COO]- 276.95172 182.5
[M+Na-2H]- 238.91254 139.9
[M]+ 217.93732 150.8
[M]- 217.93842 150.8
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