CID 103595914

Tert-butyl n-(1,1,1-trifluoro-4-oxobutan-2-yl)carbamate

Structural Information

Molecular Formula
C9H14F3NO3
SMILES
CC(C)(C)OC(=O)NC(CC=O)C(F)(F)F
InChI
InChI=1S/C9H14F3NO3/c1-8(2,3)16-7(15)13-6(4-5-14)9(10,11)12/h5-6H,4H2,1-3H3,(H,13,15)
InChIKey
PLAVDURWXDAPPV-UHFFFAOYSA-N
Compound name
tert-butyl N-(1,1,1-trifluoro-4-oxobutan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.09258 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09986 149.7
[M+Na]+ 264.08180 156.2
[M-H]- 240.08530 146.2
[M+NH4]+ 259.12640 167.1
[M+K]+ 280.05574 156.0
[M+H-H2O]+ 224.08984 142.7
[M+HCOO]- 286.09078 166.5
[M+CH3COO]- 300.10643 193.1
[M+Na-2H]- 262.06725 153.1
[M]+ 241.09203 147.8
[M]- 241.09313 147.8
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.