CID 19980372

1,1,1,2,2-pentafluorobutane

Structural Information

Molecular Formula
C4H5F5
SMILES
CCC(C(F)(F)F)(F)F
InChI
InChI=1S/C4H5F5/c1-2-3(5,6)4(7,8)9/h2H2,1H3
InChIKey
NVSXSBBVEDNGPY-UHFFFAOYSA-N
Compound name
1,1,1,2,2-pentafluorobutane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8871
Patents

148.03114 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.038416 121.7
[M+Na]+ 171.020358 130.9
[M-H]- 147.023864 116.2
[M+NH4]+ 166.064963 143.1
[M+K]+ 186.994298 130.0
[M+H-H2O]+ 131.028400 114.3
[M+HCOO]- 193.029341 137.7
[M+CH3COO]- 207.044991 175.7
[M+Na-2H]- 169.005806 128.2
[M]+ 148.03059142 114.6
[M]- 148.03168858 114.6
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