CID 102367698

714-95-4

Structural Information

Molecular Formula

C₆H₄F₅N₃S

SMILES

C1=CC(=CC=C1N=[N+]=[N-])S(F)(F)(F)(F)F

InChI

InChI=1S/C6H4F5N3S/c7-15(8,9,10,11)6-3-1-5(2-4-6)13-14-12/h1-4H

InChIKey

XTEKGBCFXJXHNL-UHFFFAOYSA-N

Compound name

(4-azidophenyl)-pentafluoro-lambda6-sulfane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 245.00461 Da
Monoisotopic Mass: 6.3
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]+	246.01189	130.0
[M+Na]+	267.99383	139.7
[M-H]-	243.99733	130.6
[M+NH4]+	263.03843	148.1
[M+K]+	283.96777	131.4
[M+H-H2O]+	228.00187	124.4
[M+HCOO]-	290.00281	150.5
[M+CH3COO]-	304.01846	192.2
[M+Na-2H]-	265.97928	135.7
[M]+	245.00406	122.6
[M]-	245.00516	122.6

Literature stripe

literature stripe

Patent stripe

patents stripe