CID 170910071

Tert-butyl n-(3-bromo-2,2-difluoropropyl)carbamate

Structural Information

Molecular Formula
C8H14BrF2NO2
SMILES
CC(C)(C)OC(=O)NCC(CBr)(F)F
InChI
InChI=1S/C8H14BrF2NO2/c1-7(2,3)14-6(13)12-5-8(10,11)4-9/h4-5H2,1-3H3,(H,12,13)
InChIKey
OLLGJOWKYUHSHK-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-bromo-2,2-difluoropropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0176 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.02488 159.4
[M+Na]+ 296.00682 157.2
[M+NH4]+ 291.05142 160.8
[M+K]+ 311.98076 159.3
[M-H]- 272.01032 153.7
[M+Na-2H]- 293.99227 157.4
[M]+ 273.01705 155.9
[M]- 273.01815 155.9
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.