CID 4650415

1-methyl-3-[2-(trifluoromethyl)phenyl]urea

Structural Information

Molecular Formula
C9H9F3N2O
SMILES
CNC(=O)NC1=CC=CC=C1C(F)(F)F
InChI
InChI=1S/C9H9F3N2O/c1-13-8(15)14-7-5-3-2-4-6(7)9(10,11)12/h2-5H,1H3,(H2,13,14,15)
InChIKey
PMKIUKNSMDJUSB-UHFFFAOYSA-N
Compound name
1-methyl-3-[2-(trifluoromethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

218.0667 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07398 146.0
[M+Na]+ 241.05592 153.3
[M+NH4]+ 236.10052 151.0
[M+K]+ 257.02986 149.0
[M-H]- 217.05942 143.4
[M+Na-2H]- 239.04137 150.1
[M]+ 218.06615 145.8
[M]- 218.06725 145.8
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