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 156.6
[M+Na]+ 323.02258 164.3
[M-H]- 299.02608 152.8
[M+NH4]+ 318.06718 170.9
[M+K]+ 338.99652 161.2
[M+H-H2O]+ 283.03062 145.6
[M+HCOO]- 345.03156 172.1
[M+CH3COO]- 359.04721 203.6
[M+Na-2H]- 321.00803 159.8
[M]+ 300.03281 147.0
[M]- 300.03391 147.0
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.