CID 47080546

1315366-48-3

Structural Information

Molecular Formula
C16H20F4N2O2
SMILES
CN(C1CCCCC1)C2=C(C=C(C=C2)NC(=O)OCC(F)(F)F)F
InChI
InChI=1S/C16H20F4N2O2/c1-22(12-5-3-2-4-6-12)14-8-7-11(9-13(14)17)21-15(23)24-10-16(18,19)20/h7-9,12H,2-6,10H2,1H3,(H,21,23)
InChIKey
KQENFVYMAPUFQQ-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.1461 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.153376 178.1
[M+Na]+ 371.135318 181.8
[M-H]- 347.138824 179.7
[M+NH4]+ 366.179923 190.8
[M+K]+ 387.109258 179.2
[M+H-H2O]+ 331.143360 166.4
[M+HCOO]- 393.144301 193.7
[M+CH3COO]- 407.159951 218.1
[M+Na-2H]- 369.120766 177.9
[M]+ 348.14555142 170.4
[M]- 348.14664858 170.4
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.