CID 13129

1,1,1,2-tetrafluoroethane

Structural Information

Molecular Formula
C2H2F4
SMILES
C(C(F)(F)F)F
InChI
InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2
InChIKey
LVGUZGTVOIAKKC-UHFFFAOYSA-N
Compound name
1,1,1,2-tetrafluoroethane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

140
References

111076
Patents

102.00926 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.01654 109.7
[M+Na]+ 124.99848 119.1
[M-H]- 101.00198 105.5
[M+NH4]+ 120.04308 132.9
[M+K]+ 140.97242 118.9
[M+H-H2O]+ 85.006520 103.0
[M+HCOO]- 147.00746 128.9
[M+CH3COO]- 161.02311 166.2
[M+Na-2H]- 122.98393 117.3
[M]+ 102.00871 103.8
[M]- 102.00981 103.8
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