CID 2776296

Benzo[c][1,2,5]oxadiazole-5-carbaldehyde

Structural Information

Molecular Formula

C₇H₄N₂O₂

SMILES

C1=CC2=NON=C2C=C1C=O

InChI

InChI=1S/C7H4N2O2/c10-4-5-1-2-6-7(3-5)9-11-8-6/h1-4H

InChIKey

STVDCFOBQWMSHN-UHFFFAOYSA-N

Compound name

2,1,3-benzoxadiazole-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 180
Patents: 148.02728 Da
Monoisotopic Mass: 0.6
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]+	149.03456	123.0
[M+Na]+	171.01650	135.0
[M-H]-	147.02000	126.5
[M+NH4]+	166.06110	143.4
[M+K]+	186.99044	134.0
[M+H-H2O]+	131.02454	116.4
[M+HCOO]-	193.02548	147.5
[M+CH3COO]-	207.04113	138.6
[M+Na-2H]-	169.00195	133.9
[M]+	148.02673	127.4
[M]-	148.02783	127.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe