CID 9633

Pentafluoroethane

Structural Information

Molecular Formula
C2HF5
SMILES
C(C(F)(F)F)(F)F
InChI
InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H
InChIKey
GTLACDSXYULKMZ-UHFFFAOYSA-N
Compound name
1,1,1,2,2-pentafluoroethane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

40
References

111792
Patents

119.99984 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.00712 112.3
[M+Na]+ 142.98906 121.6
[M-H]- 118.99256 106.9
[M+NH4]+ 138.03366 134.6
[M+K]+ 158.96300 121.3
[M+H-H2O]+ 102.99710 104.7
[M+HCOO]- 164.99804 129.5
[M+CH3COO]- 179.01369 170.0
[M+Na-2H]- 140.97451 118.1
[M]+ 119.99929 104.4
[M]- 120.00039 104.4
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