CID 167718717

Tert-butyl n-(4,4-difluoro-3-oxobutyl)carbamate

Structural Information

Molecular Formula
C9H15F2NO3
SMILES
CC(C)(C)OC(=O)NCCC(=O)C(F)F
InChI
InChI=1S/C9H15F2NO3/c1-9(2,3)15-8(14)12-5-4-6(13)7(10)11/h7H,4-5H2,1-3H3,(H,12,14)
InChIKey
QHQPJOBCFYEWDO-UHFFFAOYSA-N
Compound name
tert-butyl N-(4,4-difluoro-3-oxobutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.102 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10928 148.1
[M+Na]+ 246.09122 153.8
[M-H]- 222.09472 145.6
[M+NH4]+ 241.13582 166.1
[M+K]+ 262.06516 154.0
[M+H-H2O]+ 206.09926 141.4
[M+HCOO]- 268.10020 166.5
[M+CH3COO]- 282.11585 191.5
[M+Na-2H]- 244.07667 149.7
[M]+ 223.10145 147.5
[M]- 223.10255 147.5
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.