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 147.1
[M+Na]+ 255.07157 154.1
[M-H]- 231.07507 147.0
[M+NH4]+ 250.11617 164.6
[M+K]+ 271.04551 151.4
[M+H-H2O]+ 215.07961 138.4
[M+HCOO]- 277.08055 168.1
[M+CH3COO]- 291.09620 193.8
[M+Na-2H]- 253.05702 152.3
[M]+ 232.08180 142.0
[M]- 232.08290 142.0
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