CID 362104

Nsc625632

Structural Information

Molecular Formula
C20H18O4
SMILES
CC(=O)CCC1(C2=CC=CC=C2C3=CC=CC=C31)C(=O)C(=O)OC
InChI
InChI=1S/C20H18O4/c1-13(21)11-12-20(18(22)19(23)24-2)16-9-5-3-7-14(16)15-8-4-6-10-17(15)20/h3-10H,11-12H2,1-2H3
InChIKey
VAHWVVUIAHIRMX-UHFFFAOYSA-N
Compound name
methyl 2-oxo-2-[9-(3-oxobutyl)fluoren-9-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1205 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12778 176.8
[M+Na]+ 345.10972 184.5
[M-H]- 321.11322 182.2
[M+NH4]+ 340.15432 196.5
[M+K]+ 361.08366 180.8
[M+H-H2O]+ 305.11776 170.6
[M+HCOO]- 367.11870 196.2
[M+CH3COO]- 381.13435 208.8
[M+Na-2H]- 343.09517 179.0
[M]+ 322.11995 181.5
[M]- 322.12105 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.