CID 146075381

2228502-72-3

Structural Information

Molecular Formula

C₁₀H₁₅F₂NO₄

SMILES

CC(C)(C)OC(=O)NCC1(CC1(F)F)C(=O)O

InChI

InChI=1S/C10H15F2NO4/c1-8(2,3)17-7(16)13-5-9(6(14)15)4-10(9,11)12/h4-5H2,1-3H3,(H,13,16)(H,14,15)

InChIKey

QNNWIKBFEOIESL-UHFFFAOYSA-N

Compound name

2,2-difluoro-1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 251.09691 Da
Monoisotopic Mass: 1.1
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]+	252.104186	148.2
[M+Na]+	274.086128	157.2
[M-H]-	250.089634	149.4
[M+NH4]+	269.130733	163.7
[M+K]+	290.060068	156.2
[M+H-H2O]+	234.094170	144.3
[M+HCOO]-	296.095111	165.5
[M+CH3COO]-	310.110761	194.9
[M+Na-2H]-	272.071576	153.4
[M]+	251.09636142	151.2
[M]-	251.09745858	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe