CID 133058

Ns 1608

Structural Information

Molecular Formula
C14H10ClF3N2O2
SMILES
C1=CC(=CC(=C1)NC(=O)NC2=C(C=CC(=C2)Cl)O)C(F)(F)F
InChI
InChI=1S/C14H10ClF3N2O2/c15-9-4-5-12(21)11(7-9)20-13(22)19-10-3-1-2-8(6-10)14(16,17)18/h1-7,21H,(H2,19,20,22)
InChIKey
KRHJDJMOIKRPNN-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

122
Patents

330.0383 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.04558 168.1
[M+Na]+ 353.02752 176.9
[M-H]- 329.03102 170.1
[M+NH4]+ 348.07212 181.9
[M+K]+ 369.00146 170.5
[M+H-H2O]+ 313.03556 159.2
[M+HCOO]- 375.03650 183.4
[M+CH3COO]- 389.05215 207.5
[M+Na-2H]- 351.01297 171.7
[M]+ 330.03775 165.0
[M]- 330.03885 165.0
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

patents stripe