CID 51059977

5-(octyloxy)-7h-benzo(c)fluoren-7-ol

Structural Information

Molecular Formula
C25H28O2
SMILES
CCCCCCCCOC1=CC2=C(C3=CC=CC=C3C2O)C4=CC=CC=C41
InChI
InChI=1S/C25H28O2/c1-2-3-4-5-6-11-16-27-23-17-22-24(19-13-8-7-12-18(19)23)20-14-9-10-15-21(20)25(22)26/h7-10,12-15,17,25-26H,2-6,11,16H2,1H3
InChIKey
OUKKKDJSKQOGDI-UHFFFAOYSA-N
Compound name
5-octoxy-7H-benzo[c]fluoren-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.20892 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.21620 191.1
[M+Na]+ 383.19814 198.3
[M-H]- 359.20164 195.5
[M+NH4]+ 378.24274 208.3
[M+K]+ 399.17208 190.9
[M+H-H2O]+ 343.20618 183.3
[M+HCOO]- 405.20712 208.9
[M+CH3COO]- 419.22277 200.8
[M+Na-2H]- 381.18359 193.4
[M]+ 360.20837 195.6
[M]- 360.20947 195.6
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.