CID 6476394

Schembl7160312

Structural Information

Molecular Formula
C16H12O5
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)CC(=O)/C=C(/C(=O)O)\O
InChI
InChI=1S/C16H12O5/c17-13(9-15(19)16(20)21)8-14(18)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,9,19H,8H2,(H,20,21)/b15-9-
InChIKey
FHUSWZRSYNIENL-DHDCSXOGSA-N
Compound name
(Z)-2-hydroxy-6-naphthalen-2-yl-4,6-dioxohex-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

284.06848 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07576 161.4
[M+Na]+ 307.05770 166.9
[M-H]- 283.06120 162.8
[M+NH4]+ 302.10230 176.0
[M+K]+ 323.03164 163.5
[M+H-H2O]+ 267.06574 155.1
[M+HCOO]- 329.06668 178.2
[M+CH3COO]- 343.08233 196.2
[M+Na-2H]- 305.04315 163.0
[M]+ 284.06793 161.1
[M]- 284.06903 161.1
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.