CID 368723

Nsc639858

Structural Information

Molecular Formula
C15H9NO6
SMILES
C1=CC(=C2C(=C1)C(=O)C3=C(O2)C(=CC=C3)[N+](=O)[O-])CC(=O)O
InChI
InChI=1S/C15H9NO6/c17-12(18)7-8-3-1-4-9-13(19)10-5-2-6-11(16(20)21)15(10)22-14(8)9/h1-6H,7H2,(H,17,18)
InChIKey
ZONHHOLWXYDKBO-UHFFFAOYSA-N
Compound name
2-(5-nitro-9-oxoxanthen-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

299.043 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.05028 159.5
[M+Na]+ 322.03222 168.8
[M-H]- 298.03572 165.4
[M+NH4]+ 317.07682 173.8
[M+K]+ 338.00616 162.5
[M+H-H2O]+ 282.04026 156.6
[M+HCOO]- 344.04120 181.5
[M+CH3COO]- 358.05685 195.8
[M+Na-2H]- 320.01767 169.8
[M]+ 299.04245 163.2
[M]- 299.04355 163.2
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.