CID 120108

Clidanac

Structural Information

Molecular Formula
C16H19ClO2
SMILES
C1CCC(CC1)C2=C(C=C3C(CCC3=C2)C(=O)O)Cl
InChI
InChI=1S/C16H19ClO2/c17-15-9-13-11(6-7-12(13)16(18)19)8-14(15)10-4-2-1-3-5-10/h8-10,12H,1-7H2,(H,18,19)
InChIKey
OIRAEJWYWSAQNG-UHFFFAOYSA-N
Compound name
6-chloro-5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

15917
Patents

278.10736 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.114636 165.0
[M+Na]+ 301.096578 171.1
[M-H]- 277.100084 170.4
[M+NH4]+ 296.141183 183.9
[M+K]+ 317.070518 165.1
[M+H-H2O]+ 261.104620 159.5
[M+HCOO]- 323.105561 177.0
[M+CH3COO]- 337.121211 175.7
[M+Na-2H]- 299.082026 164.1
[M]+ 278.10681142 161.6
[M]- 278.10790858 161.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe