CID 9575781

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

Structural Information

Molecular Formula
C20H13BrF2N2O2
SMILES
C1=CC(=CC=C1/C=N/NC(=O)C2=C(C=CC(=C2)C3=C(C=C(C=C3)F)F)O)Br
InChI
InChI=1S/C20H13BrF2N2O2/c21-14-4-1-12(2-5-14)11-24-25-20(27)17-9-13(3-8-19(17)26)16-7-6-15(22)10-18(16)23/h1-11,26H,(H,25,27)/b24-11+
InChIKey
MJMIEAVVGSRHQC-BHGWPJFGSA-N
Compound name
N-[(E)-(4-bromophenyl)methylideneamino]-5-(2,4-difluorophenyl)-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

430.01285 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.02013 193.3
[M+Na]+ 453.00207 203.5
[M-H]- 429.00557 202.8
[M+NH4]+ 448.04667 206.0
[M+K]+ 468.97601 189.5
[M+H-H2O]+ 413.01011 187.7
[M+HCOO]- 475.01105 213.4
[M+CH3COO]- 489.02670 226.6
[M+Na-2H]- 450.98752 195.5
[M]+ 430.01230 209.2
[M]- 430.01340 209.2
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.