CID 3079411

Benzonitrile, 2,3-dihydroxy-5-(2-fluorobenzoyl)-

Structural Information

Molecular Formula
C14H8FNO3
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC(=C(C(=C2)O)O)C#N)F
InChI
InChI=1S/C14H8FNO3/c15-11-4-2-1-3-10(11)13(18)8-5-9(7-16)14(19)12(17)6-8/h1-6,17,19H
InChIKey
ZSTLBCUHYUTGRS-UHFFFAOYSA-N
Compound name
5-(2-fluorobenzoyl)-2,3-dihydroxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.04883 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.05611 158.1
[M+Na]+ 280.03805 169.4
[M-H]- 256.04155 160.9
[M+NH4]+ 275.08265 172.1
[M+K]+ 296.01199 163.7
[M+H-H2O]+ 240.04609 144.5
[M+HCOO]- 302.04703 174.8
[M+CH3COO]- 316.06268 203.0
[M+Na-2H]- 278.02350 159.9
[M]+ 257.04828 151.7
[M]- 257.04938 151.7
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.