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
3
Annotation Hits

11
References

11073
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 158.6
[M+Na]+ 297.02889 170.3
[M-H]- 273.03239 163.8
[M+NH4]+ 292.07349 181.5
[M+K]+ 313.00283 164.5
[M+H-H2O]+ 257.03693 154.3
[M+HCOO]- 319.03787 175.4
[M+CH3COO]- 333.05352 172.0
[M+Na-2H]- 295.01434 164.2
[M]+ 274.03912 163.7
[M]- 274.04022 163.7
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