CID 97889404

4-bromo-3-fluoro-2-hydroxybenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

217.93787 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.945146 132.8
[M+Na]+ 240.927088 146.5
[M-H]- 216.930594 137.5
[M+NH4]+ 235.971693 154.8
[M+K]+ 256.901028 135.1
[M+H-H2O]+ 200.935130 132.9
[M+HCOO]- 262.936071 153.6
[M+CH3COO]- 276.951721 182.5
[M+Na-2H]- 238.912536 139.9
[M]+ 217.93732142 150.8
[M]- 217.93841858 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