CID 18678981

1,1,1,2,2-pentafluoropentane

Structural Information

Molecular Formula
C5H7F5
SMILES
CCCC(C(F)(F)F)(F)F
InChI
InChI=1S/C5H7F5/c1-2-3-4(6,7)5(8,9)10/h2-3H2,1H3
InChIKey
KBOAVUSWPXRQBC-UHFFFAOYSA-N
Compound name
1,1,1,2,2-pentafluoropentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1095
Patents

162.04678 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.054056 126.5
[M+Na]+ 185.035998 135.3
[M-H]- 161.039504 120.8
[M+NH4]+ 180.080603 147.3
[M+K]+ 201.009938 134.1
[M+H-H2O]+ 145.044040 118.9
[M+HCOO]- 207.044981 142.2
[M+CH3COO]- 221.060631 178.7
[M+Na-2H]- 183.021446 132.5
[M]+ 162.04623142 119.8
[M]- 162.04732858 119.8
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