CID 84668022

1403935-25-0

Structural Information

Molecular Formula

C₁₀H₈F₂O₂

SMILES

C1CC(C2=C1C=C(C=C2)C(=O)O)(F)F

InChI

InChI=1S/C10H8F2O2/c11-10(12)4-3-6-5-7(9(13)14)1-2-8(6)10/h1-2,5H,3-4H2,(H,13,14)

InChIKey

BJIDUKDVTNDVFP-UHFFFAOYSA-N

Compound name

1,1-difluoro-2,3-dihydroindene-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 198.04924 Da
Monoisotopic Mass: 2.3
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]+	199.056516	137.2
[M+Na]+	221.038458	147.1
[M-H]-	197.041964	138.5
[M+NH4]+	216.083063	160.9
[M+K]+	237.012398	143.6
[M+H-H2O]+	181.046500	131.4
[M+HCOO]-	243.047441	156.7
[M+CH3COO]-	257.063091	180.7
[M+Na-2H]-	219.023906	141.6
[M]+	198.04869142	134.1
[M]-	198.04978858	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe