CID 9632709

4-(2-(2,4-dihydroxybenzoyl)carbohydrazonoyl)phenyl 2-fluorobenzoate

Structural Information

Molecular Formula
C21H15FN2O5
SMILES
C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=C(C=C(C=C3)O)O)F
InChI
InChI=1S/C21H15FN2O5/c22-18-4-2-1-3-16(18)21(28)29-15-8-5-13(6-9-15)12-23-24-20(27)17-10-7-14(25)11-19(17)26/h1-12,25-26H,(H,24,27)/b23-12+
InChIKey
UTWALEJSOZJMQV-FSJBWODESA-N
Compound name
[4-[(E)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.0965 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.10378 189.8
[M+Na]+ 417.08572 195.7
[M-H]- 393.08922 197.2
[M+NH4]+ 412.13032 198.9
[M+K]+ 433.05966 191.4
[M+H-H2O]+ 377.09376 178.8
[M+HCOO]- 439.09470 211.9
[M+CH3COO]- 453.11035 222.6
[M+Na-2H]- 415.07117 191.5
[M]+ 394.09595 189.4
[M]- 394.09705 189.4
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.