CID 79012

Methyl difluoroacetate

Structural Information

Molecular Formula

C₃H₄F₂O₂

SMILES

COC(=O)C(F)F

InChI

InChI=1S/C3H4F2O2/c1-7-3(6)2(4)5/h2H,1H3

InChIKey

CSSYKHYGURSRAZ-UHFFFAOYSA-N

Compound name

methyl 2,2-difluoroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2063
Patents: 110.01794 Da
Monoisotopic Mass: 1.0
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]+	111.02522	114.5
[M+Na]+	133.00716	122.9
[M-H]-	109.01066	112.8
[M+NH4]+	128.05176	137.3
[M+K]+	148.98110	124.0
[M+H-H2O]+	93.015200	108.8
[M+HCOO]-	155.01614	135.9
[M+CH3COO]-	169.03179	167.7
[M+Na-2H]-	130.99261	119.7
[M]+	110.01739	113.1
[M]-	110.01849	113.1

Literature stripe

literature stripe

Patent stripe

patents stripe