CID 2778268

86884-16-4

Structural Information

Molecular Formula

C₄H₃F₇

SMILES

C(C(C(F)(F)F)F)C(F)(F)F

InChI

InChI=1S/C4H3F7/c5-2(4(9,10)11)1-3(6,7)8/h2H,1H2

InChIKey

KPIWBTHJFIZHLS-UHFFFAOYSA-N

Compound name

1,1,1,2,4,4,4-heptafluorobutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 575
Patents: 184.0123 Da
Monoisotopic Mass: 3.2
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]+	185.01958	127.3
[M+Na]+	207.00152	136.3
[M-H]-	183.00502	119.2
[M+NH4]+	202.04612	146.8
[M+K]+	222.97546	135.0
[M+H-H2O]+	167.00956	118.0
[M+HCOO]-	229.01050	140.1
[M+CH3COO]-	243.02615	181.9
[M+Na-2H]-	204.98697	131.3
[M]+	184.01175	116.7
[M]-	184.01285	116.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe