CID 233466

6319-19-3

Structural Information

Molecular Formula

C₁₄H₁₄O₂

SMILES

C1C2C=CC1C(C2C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C14H14O2/c15-14(16)13-11-7-6-10(8-11)12(13)9-4-2-1-3-5-9/h1-7,10-13H,8H2,(H,15,16)

InChIKey

PWQBPEKAJJSVFH-UHFFFAOYSA-N

Compound name

3-phenylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 214.09938 Da
Monoisotopic Mass: 2.6
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]+	215.10666	148.5
[M+Na]+	237.08860	156.0
[M-H]-	213.09210	153.8
[M+NH4]+	232.13320	171.6
[M+K]+	253.06254	152.2
[M+H-H2O]+	197.09664	143.7
[M+HCOO]-	259.09758	169.3
[M+CH3COO]-	273.11323	161.5
[M+Na-2H]-	235.07405	150.4
[M]+	214.09883	147.6
[M]-	214.09993	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe