CID 139026660

2361635-28-9

Structural Information

Molecular Formula

C₆H₆F₂O₂

SMILES

C1C(C12CC2(F)F)C(=O)O

InChI

InChI=1S/C6H6F2O2/c7-6(8)2-5(6)1-3(5)4(9)10/h3H,1-2H2,(H,9,10)

InChIKey

MMJXHXTZGUTWNW-UHFFFAOYSA-N

Compound name

2,2-difluorospiro[2.2]pentane-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 148.03358 Da
Monoisotopic Mass: 0.8
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]+	149.04086	134.5
[M+Na]+	171.02280	143.9
[M-H]-	147.02630	138.4
[M+NH4]+	166.06740	147.1
[M+K]+	186.99674	144.1
[M+H-H2O]+	131.03084	130.4
[M+HCOO]-	193.03178	150.5
[M+CH3COO]-	207.04743	186.0
[M+Na-2H]-	169.00825	139.3
[M]+	148.03303	136.7
[M]-	148.03413	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe