CID 165658118

Tert-butyl n-[2-(3,3-difluorocyclobutyl)-1-oxopropan-2-yl]carbamate

Structural Information

Molecular Formula
C12H19F2NO3
SMILES
CC(C)(C)OC(=O)NC(C)(C=O)C1CC(C1)(F)F
InChI
InChI=1S/C12H19F2NO3/c1-10(2,3)18-9(17)15-11(4,7-16)8-5-12(13,14)6-8/h7-8H,5-6H2,1-4H3,(H,15,17)
InChIKey
JOJFXRQQTBLTRO-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(3,3-difluorocyclobutyl)-1-oxopropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1333 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14058 170.4
[M+Na]+ 286.12252 171.7
[M+NH4]+ 281.16712 171.8
[M+K]+ 302.09646 168.6
[M-H]- 262.12602 163.4
[M+Na-2H]- 284.10797 169.5
[M]+ 263.13275 167.2
[M]- 263.13385 167.2
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.