CID 834662

2-(9h-xanthen-9-yl)acetic acid

Structural Information

Molecular Formula
C15H12O3
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)CC(=O)O
InChI
InChI=1S/C15H12O3/c16-15(17)9-12-10-5-1-3-7-13(10)18-14-8-4-2-6-11(12)14/h1-8,12H,9H2,(H,16,17)
InChIKey
WBWAHPQXFIMEOA-UHFFFAOYSA-N
Compound name
2-(9H-xanthen-9-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

38
Patents

240.07864 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08592 149.9
[M+Na]+ 263.06786 157.8
[M-H]- 239.07136 154.6
[M+NH4]+ 258.11246 167.4
[M+K]+ 279.04180 155.0
[M+H-H2O]+ 223.07590 143.2
[M+HCOO]- 285.07684 168.1
[M+CH3COO]- 299.09249 162.2
[M+Na-2H]- 261.05331 158.1
[M]+ 240.07809 150.5
[M]- 240.07919 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

literature stripe

Patent stripe

patents stripe