CID 165456444

Tert-butyln-(3-bromo-2-fluoro-2-methylpropyl)carbamate

Structural Information

Molecular Formula
C9H17BrFNO2
SMILES
CC(C)(C)OC(=O)NCC(C)(CBr)F
InChI
InChI=1S/C9H17BrFNO2/c1-8(2,3)14-7(13)12-6-9(4,11)5-10/h5-6H2,1-4H3,(H,12,13)
InChIKey
ITPXPNZEZSVDSZ-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-bromo-2-fluoro-2-methylpropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.04266 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.04994 156.8
[M+Na]+ 292.03188 166.3
[M-H]- 268.03538 158.4
[M+NH4]+ 287.07648 176.8
[M+K]+ 308.00582 156.1
[M+H-H2O]+ 252.03992 156.1
[M+HCOO]- 314.04086 173.6
[M+CH3COO]- 328.05651 196.0
[M+Na-2H]- 290.01733 162.7
[M]+ 269.04211 175.4
[M]- 269.04321 175.4
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.