CID 165746886

2803862-83-9

Structural Information

Molecular Formula

C₇H₁₁BrF₂O₂

SMILES

CC(C)(C)OC(=O)C(CBr)(F)F

InChI

InChI=1S/C7H11BrF2O2/c1-6(2,3)12-5(11)7(9,10)4-8/h4H2,1-3H3

InChIKey

GWPDOEXHLAVSBW-UHFFFAOYSA-N

Compound name

tert-butyl 3-bromo-2,2-difluoropropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.99104 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	244.998316	147.1
[M+Na]+	266.980258	158.4
[M-H]-	242.983764	148.0
[M+NH4]+	262.024863	168.4
[M+K]+	282.954198	148.6
[M+H-H2O]+	226.988300	146.9
[M+HCOO]-	288.989241	162.8
[M+CH3COO]-	303.004891	189.1
[M+Na-2H]-	264.965706	153.4
[M]+	243.99049142	164.8
[M]-	243.99158858	164.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.