CID 94389

Tetrafluron

Structural Information

Molecular Formula
C11H12F4N2O2
SMILES
CN(C)C(=O)NC1=CC(=CC=C1)OC(C(F)F)(F)F
InChI
InChI=1S/C11H12F4N2O2/c1-17(2)10(18)16-7-4-3-5-8(6-7)19-11(14,15)9(12)13/h3-6,9H,1-2H3,(H,16,18)
InChIKey
FCAKZZMVXCLLHM-UHFFFAOYSA-N
Compound name
1,1-dimethyl-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4639
Patents

280.0835 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.09078 162.0
[M+Na]+ 303.07272 167.0
[M+NH4]+ 298.11732 165.1
[M+K]+ 319.04666 164.0
[M-H]- 279.07622 157.5
[M+Na-2H]- 301.05817 163.9
[M]+ 280.08295 160.8
[M]- 280.08405 160.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe