CID 3057110

73953-83-0

Structural Information

Molecular Formula
C13H17F3N2O
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NC(=O)N(C)C
InChI
InChI=1S/C13H17F3N2O/c1-9(17-12(19)18(2)3)7-10-5-4-6-11(8-10)13(14,15)16/h4-6,8-9H,7H2,1-3H3,(H,17,19)
InChIKey
RHEHHWUAEABCLO-UHFFFAOYSA-N
Compound name
1,1-dimethyl-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.1293 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13658 161.2
[M+Na]+ 297.11852 166.8
[M-H]- 273.12202 162.0
[M+NH4]+ 292.16312 177.5
[M+K]+ 313.09246 165.3
[M+H-H2O]+ 257.12656 151.8
[M+HCOO]- 319.12750 180.6
[M+CH3COO]- 333.14315 207.2
[M+Na-2H]- 295.10397 162.8
[M]+ 274.12875 157.8
[M]- 274.12985 157.8
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

No patent data available for this compound.