CID 2775798

375-17-7

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

22319
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.