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

literature stripe

Patent stripe

patents stripe