CID 165661452

1852289-10-1

Structural Information

Molecular Formula
C10H15BrF3NO3
SMILES
CC(C)(C)OC(=O)NC(CC(F)(F)F)C(=O)CBr
InChI
InChI=1S/C10H15BrF3NO3/c1-9(2,3)18-8(17)15-6(7(16)5-11)4-10(12,13)14/h6H,4-5H2,1-3H3,(H,15,17)
InChIKey
ROLNDZKLOSCKAB-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-bromo-1,1,1-trifluoro-4-oxopentan-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.01874 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.02602 169.1
[M+Na]+ 356.00796 178.0
[M-H]- 332.01146 168.0
[M+NH4]+ 351.05256 186.2
[M+K]+ 371.98190 167.6
[M+H-H2O]+ 316.01600 166.4
[M+HCOO]- 378.01694 182.2
[M+CH3COO]- 392.03259 205.8
[M+Na-2H]- 353.99341 171.2
[M]+ 333.01819 184.9
[M]- 333.01929 184.9
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.