CID 372530

Nsc647709

Structural Information

Molecular Formula
C17H15ClO3
SMILES
C1CCC(=CC1)C2=C(C=C3C=CC(=CC3=C2O)Cl)C(=O)O
InChI
InChI=1S/C17H15ClO3/c18-12-7-6-11-8-14(17(20)21)15(16(19)13(11)9-12)10-4-2-1-3-5-10/h4,6-9,19H,1-3,5H2,(H,20,21)
InChIKey
ICUXOWOKYWQNSI-UHFFFAOYSA-N
Compound name
6-chloro-3-(cyclohexen-1-yl)-4-hydroxynaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.07098 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07826 165.6
[M+Na]+ 325.06020 173.7
[M-H]- 301.06370 170.6
[M+NH4]+ 320.10480 181.3
[M+K]+ 341.03414 167.4
[M+H-H2O]+ 285.06824 159.6
[M+HCOO]- 347.06918 178.2
[M+CH3COO]- 361.08483 199.2
[M+Na-2H]- 323.04565 168.1
[M]+ 302.07043 165.0
[M]- 302.07153 165.0
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.