CID 135744206

Phthalaldehyde, dioxime

Structural Information

Molecular Formula

C₈H₈N₂O₂

SMILES

C1=CC=C(C(=C1)/C=N/O)/C=N/O

InChI

InChI=1S/C8H8N2O2/c11-9-5-7-3-1-2-4-8(7)6-10-12/h1-6,11-12H/b9-5+,10-6+

InChIKey

VKVHHIAWIXZLHE-NXZHAISVSA-N

Compound name

(NE)-N-[[2-[(E)-hydroxyiminomethyl]phenyl]methylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 164.05858 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	165.06586	133.0
[M+Na]+	187.04780	144.1
[M+NH4]+	182.09240	140.6
[M+K]+	203.02174	138.1
[M-H]-	163.05130	135.4
[M+Na-2H]-	185.03325	139.9
[M]+	164.05803	134.9
[M]-	164.05913	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe