CID 1280263

1-ethyl-3-(3-trifluoromethyl-phenyl)-urea

Structural Information

Molecular Formula
C10H11F3N2O
SMILES
CCNC(=O)NC1=CC=CC(=C1)C(F)(F)F
InChI
InChI=1S/C10H11F3N2O/c1-2-14-9(16)15-8-5-3-4-7(6-8)10(11,12)13/h3-6H,2H2,1H3,(H2,14,15,16)
InChIKey
FGRDDASXWCZPIQ-UHFFFAOYSA-N
Compound name
1-ethyl-3-[3-(trifluoromethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

232.08235 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.08963 150.2
[M+Na]+ 255.07157 157.3
[M+NH4]+ 250.11617 155.1
[M+K]+ 271.04551 152.8
[M-H]- 231.07507 147.6
[M+Na-2H]- 253.05702 154.0
[M]+ 232.08180 150.0
[M]- 232.08290 150.0
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