CID 9575783

2', 4' - difluoro-4-hydroxy-biphenyl-3-carboxylic acid (2-fluorobenzylidene) hydrazide

Structural Information

Molecular Formula
C20H13F3N2O2
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)C2=C(C=CC(=C2)C3=C(C=C(C=C3)F)F)O)F
InChI
InChI=1S/C20H13F3N2O2/c21-14-6-7-15(18(23)10-14)12-5-8-19(26)16(9-12)20(27)25-24-11-13-3-1-2-4-17(13)22/h1-11,26H,(H,25,27)/b24-11+
InChIKey
XIBCSEVAWQPASO-BHGWPJFGSA-N
Compound name
5-(2,4-difluorophenyl)-N-[(E)-(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.09293 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.10021 184.4
[M+Na]+ 393.08215 193.0
[M-H]- 369.08565 190.8
[M+NH4]+ 388.12675 195.9
[M+K]+ 409.05609 186.3
[M+H-H2O]+ 353.09019 172.0
[M+HCOO]- 415.09113 206.4
[M+CH3COO]- 429.10678 222.1
[M+Na-2H]- 391.06760 185.7
[M]+ 370.09238 181.0
[M]- 370.09348 181.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.