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]+ 247.105266 151.8
[M+Na]+ 269.087208 158.4
[M-H]- 245.090714 151.4
[M+NH4]+ 264.131813 168.7
[M+K]+ 285.061148 155.4
[M+H-H2O]+ 229.095250 142.8
[M+HCOO]- 291.096191 172.4
[M+CH3COO]- 305.111841 196.9
[M+Na-2H]- 267.072656 156.4
[M]+ 246.09744142 147.1
[M]- 246.09853858 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