CID 3414325

N-(5-chloro-2-methoxyphenyl)-n'-(3-(trifluoromethyl)phenyl)urea

Structural Information

Molecular Formula
C15H12ClF3N2O2
SMILES
COC1=C(C=C(C=C1)Cl)NC(=O)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C15H12ClF3N2O2/c1-23-13-6-5-10(16)8-12(13)21-14(22)20-11-4-2-3-9(7-11)15(17,18)19/h2-8H,1H3,(H2,20,21,22)
InChIKey
JGAYVGGTBYDENO-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

344.05392 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.06120 173.0
[M+Na]+ 367.04314 181.8
[M-H]- 343.04664 176.2
[M+NH4]+ 362.08774 186.9
[M+K]+ 383.01708 176.0
[M+H-H2O]+ 327.05118 163.5
[M+HCOO]- 389.05212 189.5
[M+CH3COO]- 403.06777 212.8
[M+Na-2H]- 365.02859 176.5
[M]+ 344.05337 172.1
[M]- 344.05447 172.1
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