CID 86664732

6-fluoro-2,3-dihydroxybenzaldehyde

Structural Information

Molecular Formula
C7H5FO3
SMILES
C1=CC(=C(C(=C1O)O)C=O)F
InChI
InChI=1S/C7H5FO3/c8-5-1-2-6(10)7(11)4(5)3-9/h1-3,10-11H
InChIKey
WMIMSXVENWNCNJ-UHFFFAOYSA-N
Compound name
6-fluoro-2,3-dihydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

156.02228 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.029556 124.8
[M+Na]+ 179.011498 135.3
[M-H]- 155.015004 125.6
[M+NH4]+ 174.056103 145.1
[M+K]+ 194.985438 132.6
[M+H-H2O]+ 139.019540 119.5
[M+HCOO]- 201.020481 146.8
[M+CH3COO]- 215.036131 171.4
[M+Na-2H]- 176.996946 130.5
[M]+ 156.02173142 123.9
[M]- 156.02282858 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