CID 1393192

87293-37-6

Structural Information

Molecular Formula

C₁₄H₁₁FO₂

SMILES

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

InChI

InChI=1S/C14H11FO2/c15-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-14(16)17/h1-8H,9H2,(H,16,17)

InChIKey

OEXCPMVXXPJZES-UHFFFAOYSA-N

Compound name

2-[2-(4-fluorophenyl)phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 230.07431 Da
Monoisotopic Mass: 3.1
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]+	231.08159	148.2
[M+Na]+	253.06353	156.2
[M-H]-	229.06703	152.6
[M+NH4]+	248.10813	165.3
[M+K]+	269.03747	152.0
[M+H-H2O]+	213.07157	140.5
[M+HCOO]-	275.07251	169.7
[M+CH3COO]-	289.08816	188.5
[M+Na-2H]-	251.04898	152.6
[M]+	230.07376	146.6
[M]-	230.07486	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe