CID 13236

Pentafluorophenylhydrazine

Structural Information

Molecular Formula

C₆H₃F₅N₂

SMILES

C1(=C(C(=C(C(=C1F)F)F)F)F)NN

InChI

InChI=1S/C6H3F5N2/c7-1-2(8)4(10)6(13-12)5(11)3(1)9/h13H,12H2

InChIKey

BYCUWCJUPSUFBX-UHFFFAOYSA-N

Compound name

(2,3,4,5,6-pentafluorophenyl)hydrazine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 33
References: 279
Patents: 198.02164 Da
Monoisotopic Mass: 1.7
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]+	199.02892	131.2
[M+Na]+	221.01086	143.0
[M-H]-	197.01436	129.4
[M+NH4]+	216.05546	150.5
[M+K]+	236.98480	139.2
[M+H-H2O]+	181.01890	121.6
[M+HCOO]-	243.01984	152.6
[M+CH3COO]-	257.03549	191.3
[M+Na-2H]-	218.99631	133.8
[M]+	198.02109	123.4
[M]-	198.02219	123.4

Literature stripe

literature stripe

Patent stripe

patents stripe