CID 266466

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

Structural Information

Molecular Formula
C12H15F3N2O
SMILES
CCCCNC(=O)NC1=CC=CC(=C1)C(F)(F)F
InChI
InChI=1S/C12H15F3N2O/c1-2-3-7-16-11(18)17-10-6-4-5-9(8-10)12(13,14)15/h4-6,8H,2-3,7H2,1H3,(H2,16,17,18)
InChIKey
IGLSTRKWAFZALR-UHFFFAOYSA-N
Compound name
1-butyl-3-[3-(trifluoromethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

260.11365 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12093 158.6
[M+Na]+ 283.10287 165.3
[M+NH4]+ 278.14747 163.1
[M+K]+ 299.07681 160.4
[M-H]- 259.10637 155.9
[M+Na-2H]- 281.08832 161.9
[M]+ 260.11310 158.3
[M]- 260.11420 158.3
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