CID 17334

Chlorflurenol-methyl

Structural Information

Molecular Formula
C15H11ClO3
SMILES
COC(=O)C1(C2=CC=CC=C2C3=C1C=C(C=C3)Cl)O
InChI
InChI=1S/C15H11ClO3/c1-19-14(17)15(18)12-5-3-2-4-10(12)11-7-6-9(16)8-13(11)15/h2-8,18H,1H3
InChIKey
LINPVWIEWJTEEJ-UHFFFAOYSA-N
Compound name
methyl 2-chloro-9-hydroxyfluorene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

10548
Patents

274.03967 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.04695 156.7
[M+Na]+ 297.02889 171.3
[M+NH4]+ 292.07349 167.7
[M+K]+ 313.00283 163.6
[M-H]- 273.03239 159.2
[M+Na-2H]- 295.01434 163.7
[M]+ 274.03912 160.1
[M]- 274.04022 160.1
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