CID 118799558

4-bromo-2-fluoro-3-hydroxybenzaldehyde

Structural Information

Molecular Formula
C7H4BrFO2
SMILES
C1=CC(=C(C(=C1C=O)F)O)Br
InChI
InChI=1S/C7H4BrFO2/c8-5-2-1-4(3-10)6(9)7(5)11/h1-3,11H
InChIKey
MLSROSFMQRYJTB-UHFFFAOYSA-N
Compound name
4-bromo-2-fluoro-3-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 137.5
[M+Na]+ 240.92709 141.1
[M+NH4]+ 235.97169 141.7
[M+K]+ 256.90103 141.2
[M-H]- 216.93059 136.4
[M+Na-2H]- 238.91254 140.3
[M]+ 217.93732 136.4
[M]- 217.93842 136.4
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

No patent data available for this compound.