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

7
Patents

464.0342 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.04148 200.4
[M+Na]+ 487.02342 208.7
[M-H]- 463.02692 206.6
[M+NH4]+ 482.06802 208.5
[M+K]+ 502.99736 202.3
[M+H-H2O]+ 447.03146 192.3
[M+HCOO]- 509.03240 211.8
[M+CH3COO]- 523.04805 231.1
[M+Na-2H]- 485.00887 199.6
[M]+ 464.03365 204.5
[M]- 464.03475 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