CID 9547901

N-(2-chloro-4-fluorobenzoyl)-n'-(5-hydroxy-2-methoxyphenyl)urea

Structural Information

Molecular Formula
C15H12ClFN2O4
SMILES
COC1=C(C=C(C=C1)O)NC(=O)NC(=O)C2=C(C=C(C=C2)F)Cl
InChI
InChI=1S/C15H12ClFN2O4/c1-23-13-5-3-9(20)7-12(13)18-15(22)19-14(21)10-4-2-8(17)6-11(10)16/h2-7,20H,1H3,(H2,18,19,21,22)
InChIKey
RFOBTYLRURSVJE-UHFFFAOYSA-N
Compound name
2-chloro-4-fluoro-N-[(5-hydroxy-2-methoxyphenyl)carbamoyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.04697 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.05425 172.1
[M+Na]+ 361.03619 180.4
[M-H]- 337.03969 177.0
[M+NH4]+ 356.08079 185.6
[M+K]+ 377.01013 175.8
[M+H-H2O]+ 321.04423 164.5
[M+HCOO]- 383.04517 190.5
[M+CH3COO]- 397.06082 210.5
[M+Na-2H]- 359.02164 173.8
[M]+ 338.04642 174.1
[M]- 338.04752 174.1
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.