CID 3046445

2-(3'-chlorobenzoyl)fluorene

Structural Information

Molecular Formula
C20H13ClO
SMILES
C1C2=CC=CC=C2C3=C1C=C(C=C3)C(=O)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C20H13ClO/c21-17-6-3-5-14(12-17)20(22)15-8-9-19-16(11-15)10-13-4-1-2-7-18(13)19/h1-9,11-12H,10H2
InChIKey
BYCULHXMOSCHIW-UHFFFAOYSA-N
Compound name
(3-chlorophenyl)-(9H-fluoren-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.0655 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.07278 170.7
[M+Na]+ 327.05472 180.9
[M-H]- 303.05822 179.4
[M+NH4]+ 322.09932 190.2
[M+K]+ 343.02866 173.1
[M+H-H2O]+ 287.06276 163.7
[M+HCOO]- 349.06370 188.0
[M+CH3COO]- 363.07935 183.1
[M+Na-2H]- 325.04017 174.5
[M]+ 304.06495 173.6
[M]- 304.06605 173.6
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

No patent data available for this compound.