CID 45083896

5-fluoro-2,3-dihydroxybenzaldehyde

Structural Information

Molecular Formula
C7H5FO3
SMILES
C1=C(C=C(C(=C1C=O)O)O)F
InChI
InChI=1S/C7H5FO3/c8-5-1-4(3-9)7(11)6(10)2-5/h1-3,10-11H
InChIKey
DPGQRVPEZSTHQH-UHFFFAOYSA-N
Compound name
5-fluoro-2,3-dihydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

156.02228 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.02956 124.8
[M+Na]+ 179.01150 135.3
[M-H]- 155.01500 125.6
[M+NH4]+ 174.05610 145.1
[M+K]+ 194.98544 132.6
[M+H-H2O]+ 139.01954 119.5
[M+HCOO]- 201.02048 146.8
[M+CH3COO]- 215.03613 171.4
[M+Na-2H]- 176.99695 130.5
[M]+ 156.02173 123.9
[M]- 156.02283 123.9
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