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]+ 253.08592 154.0
[M+Na]+ 275.06786 165.2
[M-H]- 251.07136 159.5
[M+NH4]+ 270.11246 175.1
[M+K]+ 291.04180 160.5
[M+H-H2O]+ 235.07590 149.0
[M+HCOO]- 297.07684 175.0
[M+CH3COO]- 311.09249 196.2
[M+Na-2H]- 273.05331 157.2
[M]+ 252.07809 157.1
[M]- 252.07919 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