CID 2779276

5-bromo-3-fluoro-2-hydroxybenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

382
Patents

217.93787 Da
Monoisotopic Mass

2.4
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

literature stripe

Patent stripe

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