CID 94852

Fluorene-9-acetic acid

Structural Information

Molecular Formula
C15H12O2
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)CC(=O)O
InChI
InChI=1S/C15H12O2/c16-15(17)9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2,(H,16,17)
InChIKey
WFSMJMTYIMFHPV-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

856
Patents

224.08372 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.09100 148.4
[M+Na]+ 247.07294 157.3
[M-H]- 223.07644 153.0
[M+NH4]+ 242.11754 170.0
[M+K]+ 263.04688 152.6
[M+H-H2O]+ 207.08098 142.9
[M+HCOO]- 269.08192 169.6
[M+CH3COO]- 283.09757 161.6
[M+Na-2H]- 245.05839 154.0
[M]+ 224.08317 149.2
[M]- 224.08427 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe