CID 24973165

2-(11h-benzo[a]fluoren-11-yl)acetic acid

Structural Information

Molecular Formula
C19H14O2
SMILES
C1=CC=C2C(=C1)C=CC3=C2C(C4=CC=CC=C34)CC(=O)O
InChI
InChI=1S/C19H14O2/c20-18(21)11-17-15-8-4-3-7-14(15)16-10-9-12-5-1-2-6-13(12)19(16)17/h1-10,17H,11H2,(H,20,21)
InChIKey
GQNBDGXKDJSVGQ-UHFFFAOYSA-N
Compound name
2-(11H-benzo[a]fluoren-11-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

274.09937 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10665 161.8
[M+Na]+ 297.08859 170.9
[M-H]- 273.09209 167.2
[M+NH4]+ 292.13319 182.2
[M+K]+ 313.06253 164.7
[M+H-H2O]+ 257.09663 155.4
[M+HCOO]- 319.09757 181.1
[M+CH3COO]- 333.11322 173.9
[M+Na-2H]- 295.07404 167.2
[M]+ 274.09882 162.9
[M]- 274.09992 162.9
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

No patent data available for this compound.