CID 12585550

73790-14-4

Structural Information

Molecular Formula

C₁₂H₈F₂O₂

SMILES

C1=CC=C2C(=C1)C=CC=C2C(C(=O)O)(F)F

InChI

InChI=1S/C12H8F2O2/c13-12(14,11(15)16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,15,16)

InChIKey

TXILYIHFGBMXDH-UHFFFAOYSA-N

Compound name

2,2-difluoro-2-naphthalen-1-ylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 222.04924 Da
Monoisotopic Mass: 3.4
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]+	223.05652	143.5
[M+Na]+	245.03846	152.0
[M-H]-	221.04196	144.3
[M+NH4]+	240.08306	162.0
[M+K]+	261.01240	148.2
[M+H-H2O]+	205.04650	136.3
[M+HCOO]-	267.04744	161.3
[M+CH3COO]-	281.06309	186.2
[M+Na-2H]-	243.02391	150.5
[M]+	222.04869	140.6
[M]-	222.04979	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe