CID 137943363

2287332-88-9

Structural Information

Molecular Formula
C13H23F2NO3
SMILES
CC(C)(C)OC(=O)NC1(CCC(CC1)(F)F)CCO
InChI
InChI=1S/C13H23F2NO3/c1-11(2,3)19-10(18)16-12(8-9-17)4-6-13(14,15)7-5-12/h17H,4-9H2,1-3H3,(H,16,18)
InChIKey
BHFGREQIPRECKZ-UHFFFAOYSA-N
Compound name
tert-butyl N-[4,4-difluoro-1-(2-hydroxyethyl)cyclohexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1646 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.17188 163.1
[M+Na]+ 302.15382 168.0
[M-H]- 278.15732 161.9
[M+NH4]+ 297.19842 182.2
[M+K]+ 318.12776 166.6
[M+H-H2O]+ 262.16186 157.7
[M+HCOO]- 324.16280 177.7
[M+CH3COO]- 338.17845 197.1
[M+Na-2H]- 300.13927 166.7
[M]+ 279.16405 158.7
[M]- 279.16515 158.7
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.