CID 25134277

505082-81-5

Structural Information

Molecular Formula

C₁₃H₈F₂O₂

SMILES

C1=CC(=CC=C1C2=CC(=C(C=C2)F)F)C(=O)O

InChI

InChI=1S/C13H8F2O2/c14-11-6-5-10(7-12(11)15)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17)

InChIKey

VDZUPTTUUMOUPT-UHFFFAOYSA-N

Compound name

4-(3,4-difluorophenyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 234.04924 Da
Monoisotopic Mass: 3.3
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]+	235.05652	146.0
[M+Na]+	257.03846	155.5
[M-H]-	233.04196	149.6
[M+NH4]+	252.08306	163.3
[M+K]+	273.01240	151.1
[M+H-H2O]+	217.04650	137.7
[M+HCOO]-	279.04744	166.7
[M+CH3COO]-	293.06309	189.4
[M+Na-2H]-	255.02391	149.6
[M]+	234.04869	143.4
[M]-	234.04979	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe