CID 45090825

681128-38-1

Structural Information

Molecular Formula

C₇H₁₀F₂O₂

SMILES

CCOC(=O)C1CC(C1)(F)F

InChI

InChI=1S/C7H10F2O2/c1-2-11-6(10)5-3-7(8,9)4-5/h5H,2-4H2,1H3

InChIKey

YSXYNSJJESDMJF-UHFFFAOYSA-N

Compound name

ethyl 3,3-difluorocyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 164.06488 Da
Monoisotopic Mass: 1.6
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]+	165.07216	130.9
[M+Na]+	187.05410	138.0
[M-H]-	163.05760	132.4
[M+NH4]+	182.09870	147.2
[M+K]+	203.02804	140.4
[M+H-H2O]+	147.06214	120.9
[M+HCOO]-	209.06308	150.3
[M+CH3COO]-	223.07873	181.0
[M+Na-2H]-	185.03955	135.3
[M]+	164.06433	138.1
[M]-	164.06543	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe