CID 67724

Perflisobutane

Structural Information

Molecular Formula
C4F10
SMILES
C(C(F)(F)F)(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C4F10/c5-1(2(6,7)8,3(9,10)11)4(12,13)14
InChIKey
COQIQRBKEGPRSG-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1318
Patents

237.98402 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.99130 136.5
[M+Na]+ 260.97324 146.8
[M-H]- 236.97674 125.6
[M+NH4]+ 256.01784 153.6
[M+K]+ 276.94718 144.7
[M+H-H2O]+ 220.98128 125.5
[M+HCOO]- 282.98222 144.0
[M+CH3COO]- 296.99787 191.0
[M+Na-2H]- 258.95869 141.5
[M]+ 237.98347 120.8
[M]- 237.98457 120.8
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