CID 129199016

Zb7qd52swf

Structural Information

Molecular Formula
C21H15Cl2FN2O5
SMILES
C1=CC(=CC=C1CC2=C(C=CC(=C2)OC3=C(C=C(C=C3Cl)NC(=O)C(=O)NO)Cl)O)F
InChI
InChI=1S/C21H15Cl2FN2O5/c22-16-9-14(25-20(28)21(29)26-30)10-17(23)19(16)31-15-5-6-18(27)12(8-15)7-11-1-3-13(24)4-2-11/h1-6,8-10,27,30H,7H2,(H,25,28)(H,26,29)
InChIKey
YAIRXIFLIJWZEI-UHFFFAOYSA-N
Compound name
N-[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-hydroxyphenoxy]phenyl]-N'-hydroxyoxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

464.0342 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.041476 200.4
[M+Na]+ 487.023418 208.7
[M-H]- 463.026924 206.6
[M+NH4]+ 482.068023 208.5
[M+K]+ 502.997358 202.3
[M+H-H2O]+ 447.031460 192.3
[M+HCOO]- 509.032401 211.8
[M+CH3COO]- 523.048051 231.1
[M+Na-2H]- 485.008866 199.6
[M]+ 464.03365142 204.5
[M]- 464.03474858 204.5
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

patents stripe