CID 9961

Ethyl difluoroacetate

Structural Information

Molecular Formula

C₄H₆F₂O₂

SMILES

CCOC(=O)C(F)F

InChI

InChI=1S/C4H6F2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3

InChIKey

GZKHDVAKKLTJPO-UHFFFAOYSA-N

Compound name

ethyl 2,2-difluoroacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4346
Patents: 124.033585 Da
Monoisotopic Mass: 0.9
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]+	125.04086	119.3
[M+Na]+	147.02280	127.4
[M-H]-	123.02631	117.4
[M+NH4]+	142.06741	141.6
[M+K]+	162.99674	128.1
[M+H-H2O]+	107.03084	113.4
[M+HCOO]-	169.03179	140.4
[M+CH3COO]-	183.04744	170.7
[M+Na-2H]-	145.00825	123.9
[M]+	124.03304	118.3
[M]-	124.03413	118.3

Literature stripe

literature stripe

Patent stripe

patents stripe