CID 11579166

Benzene, 2-azido-1,3-difluoro-

Structural Information

Molecular Formula

C₆H₃F₂N₃

SMILES

C1=CC(=C(C(=C1)F)N=[N+]=[N-])F

InChI

InChI=1S/C6H3F2N3/c7-4-2-1-3-5(8)6(4)10-11-9/h1-3H

InChIKey

XPVKWBQVANKPLZ-UHFFFAOYSA-N

Compound name

2-azido-1,3-difluorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 59
Patents: 155.02951 Da
Monoisotopic Mass: 3.1
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]+	156.03679	122.2
[M+Na]+	178.01873	131.5
[M-H]-	154.02223	126.6
[M+NH4]+	173.06333	143.6
[M+K]+	193.99267	125.4
[M+H-H2O]+	138.02677	119.0
[M+HCOO]-	200.02771	152.4
[M+CH3COO]-	214.04336	180.1
[M+Na-2H]-	176.00418	132.8
[M]+	155.02896	117.7
[M]-	155.03006	117.7

Literature stripe

literature stripe

Patent stripe

patents stripe