CID 136503

1,1-difluoro-2-vinylcyclopropane

Structural Information

Molecular Formula

C₅H₆F₂

SMILES

C=CC1CC1(F)F

InChI

InChI=1S/C5H6F2/c1-2-4-3-5(4,6)7/h2,4H,1,3H2

InChIKey

QCLGRUGHFNFAFX-UHFFFAOYSA-N

Compound name

2-ethenyl-1,1-difluorocyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 104.043755 Da
Monoisotopic Mass: 1.9
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]+	105.05103	112.9
[M+Na]+	127.03297	124.2
[M-H]-	103.03648	116.0
[M+NH4]+	122.07758	133.2
[M+K]+	143.00691	122.8
[M+H-H2O]+	87.041015	107.2
[M+HCOO]-	149.04196	135.2
[M+CH3COO]-	163.05761	171.8
[M+Na-2H]-	125.01842	120.7
[M]+	104.04321	112.7
[M]-	104.04430	112.7

Literature stripe

literature stripe

Patent stripe

patents stripe