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: 0
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]+	165.065856	130.9
[M+Na]+	187.047798	138.6
[M-H]-	163.051304	134.9
[M+NH4]+	182.092403	151.1
[M+K]+	203.021738	136.6
[M+H-H2O]+	147.055840	124.6
[M+HCOO]-	209.056781	158.7
[M+CH3COO]-	223.072431	180.2
[M+Na-2H]-	185.033246	139.5
[M]+	164.05803142	130.6
[M]-	164.05912858	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe