CID 170910071

2353309-16-5

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 155.9
[M+Na]+ 296.00682 165.8
[M-H]- 272.01032 156.3
[M+NH4]+ 291.05142 175.6
[M+K]+ 311.98076 155.4
[M+H-H2O]+ 256.01486 154.4
[M+HCOO]- 318.01580 172.1
[M+CH3COO]- 332.03145 195.7
[M+Na-2H]- 293.99227 161.7
[M]+ 273.01705 172.9
[M]- 273.01815 172.9
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.