CID 246697

500536-41-4

Structural Information

Molecular Formula
C16H12O3
SMILES
CC1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3C(=O)O)C
InChI
InChI=1S/C16H12O3/c1-8-3-4-10-11(5-8)15(17)12-6-9(2)7-13(14(10)12)16(18)19/h3-7H,1-2H3,(H,18,19)
InChIKey
ATPRNYZONXAEOW-UHFFFAOYSA-N
Compound name
2,7-dimethyl-9-oxofluorene-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

252.07864 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.085916 154.0
[M+Na]+ 275.067858 165.2
[M-H]- 251.071364 159.5
[M+NH4]+ 270.112463 175.1
[M+K]+ 291.041798 160.5
[M+H-H2O]+ 235.075900 149.0
[M+HCOO]- 297.076841 175.0
[M+CH3COO]- 311.092491 196.2
[M+Na-2H]- 273.053306 157.2
[M]+ 252.07809142 157.1
[M]- 252.07918858 157.1
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

patents stripe