CID 12767

Hexafluorocyclobutene

Structural Information

Molecular Formula

C₄F₆

SMILES

C1(=C(C(C1(F)F)(F)F)F)F

InChI

InChI=1S/C4F6/c5-1-2(6)4(9,10)3(1,7)8

InChIKey

QVHWOZCZUNPZPW-UHFFFAOYSA-N

Compound name

1,2,3,3,4,4-hexafluorocyclobutene

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 10
References: 2233
Patents: 161.99042 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]+	162.99770	120.6
[M+Na]+	184.97964	132.9
[M-H]-	160.98314	118.9
[M+NH4]+	180.02424	139.4
[M+K]+	200.95358	133.3
[M+H-H2O]+	144.98768	109.7
[M+HCOO]-	206.98862	138.5
[M+CH3COO]-	221.00427	182.2
[M+Na-2H]-	182.96509	126.2
[M]+	161.98987	122.7
[M]-	161.99097	122.7

Literature stripe

literature stripe

Patent stripe

patents stripe