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

1358
Patents

224.08372 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.090996 149.4
[M+Na]+ 247.072938 159.4
[M-H]- 223.076444 154.3
[M+NH4]+ 242.117543 173.0
[M+K]+ 263.046878 154.7
[M+H-H2O]+ 207.080980 144.2
[M+HCOO]- 269.081921 170.5
[M+CH3COO]- 283.097571 162.9
[M+Na-2H]- 245.058386 155.9
[M]+ 224.08317142 150.5
[M]- 224.08426858 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