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]+ 275.136576 161.2
[M+Na]+ 297.118518 166.8
[M-H]- 273.122024 162.0
[M+NH4]+ 292.163123 177.5
[M+K]+ 313.092458 165.3
[M+H-H2O]+ 257.126560 151.8
[M+HCOO]- 319.127501 180.6
[M+CH3COO]- 333.143151 207.2
[M+Na-2H]- 295.103966 162.8
[M]+ 274.12875142 157.8
[M]- 274.12984858 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.