CID 40816

Flurenol-butyl

Structural Information

Molecular Formula
C18H18O3
SMILES
CCCCOC(=O)C1(C2=CC=CC=C2C3=CC=CC=C31)O
InChI
InChI=1S/C18H18O3/c1-2-3-12-21-17(19)18(20)15-10-6-4-8-13(15)14-9-5-7-11-16(14)18/h4-11,20H,2-3,12H2,1H3
InChIKey
PSGPXWYGJGGEEG-UHFFFAOYSA-N
Compound name
butyl 9-hydroxyfluorene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4537
Patents

282.12558 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.13286 166.9
[M+Na]+ 305.11480 175.5
[M-H]- 281.11830 171.2
[M+NH4]+ 300.15940 188.1
[M+K]+ 321.08874 170.7
[M+H-H2O]+ 265.12284 160.9
[M+HCOO]- 327.12378 187.1
[M+CH3COO]- 341.13943 198.1
[M+Na-2H]- 303.10025 171.9
[M]+ 282.12503 170.4
[M]- 282.12613 170.4
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