CID 2775798

1,1,1,2,2,3,3,4,4-nonafluorobutane

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

8
References

11019
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 132.6
[M+Na]+ 242.98267 142.1
[M-H]- 218.98617 122.4
[M+NH4]+ 238.02727 150.3
[M+K]+ 258.95661 140.3
[M+H-H2O]+ 202.99071 121.9
[M+HCOO]- 264.99165 141.6
[M+CH3COO]- 279.00730 189.3
[M+Na-2H]- 240.96812 136.2
[M]+ 219.99290 118.5
[M]- 219.99400 118.5
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