CID 128899

67639-46-7

Structural Information

Molecular Formula
C22H17FO2
SMILES
CC1=C2C3=CC=CC=C3C(=CC2=C(C4=CC=CC=C14)COC(=O)C)F
InChI
InChI=1S/C22H17FO2/c1-13-15-7-3-4-8-16(15)20(12-25-14(2)24)19-11-21(23)17-9-5-6-10-18(17)22(13)19/h3-11H,12H2,1-2H3
InChIKey
BWBNQGMPRXNAEL-UHFFFAOYSA-N
Compound name
(5-fluoro-12-methylbenzo[a]anthracen-7-yl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

332.12125 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12853 177.6
[M+Na]+ 355.11047 188.6
[M-H]- 331.11397 183.3
[M+NH4]+ 350.15507 194.9
[M+K]+ 371.08441 182.2
[M+H-H2O]+ 315.11851 168.2
[M+HCOO]- 377.11945 196.5
[M+CH3COO]- 391.13510 189.2
[M+Na-2H]- 353.09592 183.3
[M]+ 332.12070 181.5
[M]- 332.12180 181.5
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.