CID 45090075

151324-64-0

Structural Information

Molecular Formula

C₆H₈F₂O₂

SMILES

CCOC(=O)C1CC1(F)F

InChI

InChI=1S/C6H8F2O2/c1-2-10-5(9)4-3-6(4,7)8/h4H,2-3H2,1H3

InChIKey

MTANUEONBSYVOV-UHFFFAOYSA-N

Compound name

ethyl 2,2-difluorocyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 150.04924 Da
Monoisotopic Mass: 1.3
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]+	151.05652	124.8
[M+Na]+	173.03846	135.5
[M-H]-	149.04196	127.6
[M+NH4]+	168.08306	143.3
[M+K]+	189.01240	134.7
[M+H-H2O]+	133.04650	118.9
[M+HCOO]-	195.04744	146.2
[M+CH3COO]-	209.06309	178.5
[M+Na-2H]-	171.02391	130.7
[M]+	150.04869	127.2
[M]-	150.04979	127.2

Literature stripe

literature stripe

Patent stripe

patents stripe