CID 37589

Cicloprofen

Structural Information

Molecular Formula

C₁₆H₁₄O₂

SMILES

CC(C1=CC2=C(C=C1)C3=CC=CC=C3C2)C(=O)O

InChI

InChI=1S/C16H14O2/c1-10(16(17)18)11-6-7-15-13(8-11)9-12-4-2-3-5-14(12)15/h2-8,10H,9H2,1H3,(H,17,18)

InChIKey

LRXFKKPEBXIPMW-UHFFFAOYSA-N

Compound name

2-(9H-fluoren-2-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 4211
Patents: 238.09938 Da
Monoisotopic Mass: 3.6
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]+	239.10666	153.6
[M+Na]+	261.08860	161.6
[M-H]-	237.09210	158.0
[M+NH4]+	256.13320	174.4
[M+K]+	277.06254	157.2
[M+H-H2O]+	221.09664	148.0
[M+HCOO]-	283.09758	173.3
[M+CH3COO]-	297.11323	166.1
[M+Na-2H]-	259.07405	157.3
[M]+	238.09883	154.0
[M]-	238.09993	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe