CID 295349

1-propyl-3-[3-(trifluoromethyl)phenyl]urea

Structural Information

Molecular Formula
C11H13F3N2O
SMILES
CCCNC(=O)NC1=CC=CC(=C1)C(F)(F)F
InChI
InChI=1S/C11H13F3N2O/c1-2-6-15-10(17)16-9-5-3-4-8(7-9)11(12,13)14/h3-5,7H,2,6H2,1H3,(H2,15,16,17)
InChIKey
WCLMZUJFSPLCEQ-UHFFFAOYSA-N
Compound name
1-propyl-3-[3-(trifluoromethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

246.09799 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10527 151.8
[M+Na]+ 269.08721 158.4
[M-H]- 245.09071 151.4
[M+NH4]+ 264.13181 168.7
[M+K]+ 285.06115 155.4
[M+H-H2O]+ 229.09525 142.8
[M+HCOO]- 291.09619 172.4
[M+CH3COO]- 305.11184 196.9
[M+Na-2H]- 267.07266 156.4
[M]+ 246.09744 147.1
[M]- 246.09854 147.1
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