CID 3587802

9-methyl-9h-fluorene-9-carboxylic acid

Structural Information

Molecular Formula
C15H12O2
SMILES
CC1(C2=CC=CC=C2C3=CC=CC=C31)C(=O)O
InChI
InChI=1S/C15H12O2/c1-15(14(16)17)12-8-4-2-6-10(12)11-7-3-5-9-13(11)15/h2-9H,1H3,(H,16,17)
InChIKey
PUPWRKQSVGUBQS-UHFFFAOYSA-N
Compound name
9-methylfluorene-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1359
Patents

224.08372 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.09100 149.4
[M+Na]+ 247.07294 159.4
[M-H]- 223.07644 154.3
[M+NH4]+ 242.11754 173.0
[M+K]+ 263.04688 154.7
[M+H-H2O]+ 207.08098 144.2
[M+HCOO]- 269.08192 170.5
[M+CH3COO]- 283.09757 162.9
[M+Na-2H]- 245.05839 155.9
[M]+ 224.08317 150.5
[M]- 224.08427 150.5
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

patents stripe