CID 135478641

30436-87-4

Structural Information

Molecular Formula
C10H6N2O4
SMILES
C1=CC=C2C(=C1)C(=NO)C(=O)C(=NO)C2=O
InChI
InChI=1S/C10H6N2O4/c13-9-6-4-2-1-3-5(6)7(11-15)10(14)8(9)12-16/h1-4,15-16H
InChIKey
TVUCGHFNVJEZDY-UHFFFAOYSA-N
Compound name
2,4-bis(hydroxyimino)naphthalene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

218.03276 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.04004 137.6
[M+Na]+ 241.02198 148.9
[M-H]- 217.02548 143.7
[M+NH4]+ 236.06658 157.2
[M+K]+ 256.99592 145.9
[M+H-H2O]+ 201.03002 131.3
[M+HCOO]- 263.03096 165.3
[M+CH3COO]- 277.04661 190.6
[M+Na-2H]- 239.00743 146.7
[M]+ 218.03221 139.6
[M]- 218.03331 139.6
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.