CID 327573

N-(trifluoroacetyl)-n'-(3-(trifluoromethyl)phenyl)urea

Structural Information

Molecular Formula
C10H6F6N2O2
SMILES
C1=CC(=CC(=C1)NC(=O)NC(=O)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C10H6F6N2O2/c11-9(12,13)5-2-1-3-6(4-5)17-8(20)18-7(19)10(14,15)16/h1-4H,(H2,17,18,19,20)
InChIKey
KTYHTAPRHUMVJK-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.03336 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.04064 169.0
[M+Na]+ 323.02258 171.7
[M+NH4]+ 318.06718 169.8
[M+K]+ 338.99652 169.3
[M-H]- 299.02608 161.8
[M+Na-2H]- 321.00803 168.8
[M]+ 300.03281 166.7
[M]- 300.03391 166.7
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.