CID 9682878

4-(2-(4-fluorobenzoyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate

Structural Information

Molecular Formula
C22H16BrFN2O4
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)F)OC(=O)C3=CC(=CC=C3)Br
InChI
InChI=1S/C22H16BrFN2O4/c1-29-20-11-14(13-25-26-21(27)15-6-8-18(24)9-7-15)5-10-19(20)30-22(28)16-3-2-4-17(23)12-16/h2-13H,1H3,(H,26,27)/b25-13+
InChIKey
GYOBLTGPRCMCKI-DHRITJCHSA-N
Compound name
[4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.02774 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.03502 201.6
[M+Na]+ 493.01696 209.9
[M-H]- 469.02046 213.0
[M+NH4]+ 488.06156 212.8
[M+K]+ 508.99090 198.2
[M+H-H2O]+ 453.02500 195.8
[M+HCOO]- 515.02594 223.0
[M+CH3COO]- 529.04159 234.2
[M+Na-2H]- 491.00241 203.8
[M]+ 470.02719 221.6
[M]- 470.02829 221.6
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.