CID 2775800

2h-nonafluorobutane

Structural Information

Molecular Formula
C4HF9
SMILES
C(C(C(F)(F)F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C4HF9/c5-1(3(8,9)10)2(6,7)4(11,12)13/h1H
InChIKey
QXIZXTKKSIAZOR-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,4,4,4-nonafluorobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2278
Patents

219.99345 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.00073 132.7
[M+Na]+ 242.98267 142.3
[M-H]- 218.98617 122.5
[M+NH4]+ 238.02727 150.5
[M+K]+ 258.95661 140.6
[M+H-H2O]+ 202.99071 122.1
[M+HCOO]- 264.99165 141.8
[M+CH3COO]- 279.00730 188.6
[M+Na-2H]- 240.96812 136.3
[M]+ 219.99290 118.6
[M]- 219.99400 118.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe