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

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.