CID 362325

Nsc625961

Structural Information

Molecular Formula
C16H11FO3
SMILES
CC1=CC2=C(C3=C(C2=O)C(=CC=C3)F)C(=C1C)C(=O)O
InChI
InChI=1S/C16H11FO3/c1-7-6-10-13(12(8(7)2)16(19)20)9-4-3-5-11(17)14(9)15(10)18/h3-6H,1-2H3,(H,19,20)
InChIKey
LQHJFUMIVUGJGE-UHFFFAOYSA-N
Compound name
8-fluoro-2,3-dimethyl-9-oxofluorene-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0692 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07648 156.7
[M+Na]+ 293.05842 168.8
[M-H]- 269.06192 161.1
[M+NH4]+ 288.10302 177.3
[M+K]+ 309.03236 163.7
[M+H-H2O]+ 253.06646 150.9
[M+HCOO]- 315.06740 176.6
[M+CH3COO]- 329.08305 200.2
[M+Na-2H]- 291.04387 158.6
[M]+ 270.06865 159.1
[M]- 270.06975 159.1
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.