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 161.9
[M+Na]+ 286.12252 166.7
[M-H]- 262.12602 162.8
[M+NH4]+ 281.16712 173.9
[M+K]+ 302.09646 169.0
[M+H-H2O]+ 246.13056 151.4
[M+HCOO]- 308.13150 177.7
[M+CH3COO]- 322.14715 200.8
[M+Na-2H]- 284.10797 165.4
[M]+ 263.13275 169.4
[M]- 263.13385 169.4
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.