CID 20079638

152932-57-5

Structural Information

Molecular Formula

C₆H₄F₂O₂

SMILES

C1=C(OC(=C1)C(F)F)C=O

InChI

InChI=1S/C6H4F2O2/c7-6(8)5-2-1-4(3-9)10-5/h1-3,6H

InChIKey

UAGUYIZBWWVNRN-UHFFFAOYSA-N

Compound name

5-(difluoromethyl)furan-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 146.01793 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]+	147.025206	121.9
[M+Na]+	169.007148	131.6
[M-H]-	145.010654	124.1
[M+NH4]+	164.051753	143.8
[M+K]+	184.981088	131.6
[M+H-H2O]+	129.015190	115.6
[M+HCOO]-	191.016131	144.8
[M+CH3COO]-	205.031781	172.9
[M+Na-2H]-	166.992596	127.5
[M]+	146.01738142	121.6
[M]-	146.01847858	121.6

Literature stripe

literature stripe

Patent stripe

patents stripe