CID 47080546

2,2,2-trifluoroethyl n-{4-[cyclohexyl(methyl)amino]-3-fluorophenyl}carbamate hydrochloride

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]+ 349.15338 180.0
[M+Na]+ 371.13532 184.9
[M+NH4]+ 366.17992 183.4
[M+K]+ 387.10926 180.5
[M-H]- 347.13882 177.5
[M+Na-2H]- 369.12077 182.2
[M]+ 348.14555 179.4
[M]- 348.14665 179.4
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.