CID 12583891

1,1,1,2-tetrafluoropropane (fc-254eb)

Structural Information

Molecular Formula
C3H4F4
SMILES
CC(C(F)(F)F)F
InChI
InChI=1S/C3H4F4/c1-2(4)3(5,6)7/h2H,1H3
InChIKey
INEMUVRCEAELBK-UHFFFAOYSA-N
Compound name
1,1,1,2-tetrafluoropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4154
Patents

116.02491 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.032186 114.4
[M+Na]+ 139.014128 123.3
[M-H]- 115.017634 110.1
[M+NH4]+ 134.058733 137.0
[M+K]+ 154.988068 123.2
[M+H-H2O]+ 99.022170 107.7
[M+HCOO]- 161.023111 132.4
[M+CH3COO]- 175.038761 170.1
[M+Na-2H]- 136.999576 120.2
[M]+ 116.02436142 108.2
[M]- 116.02545858 108.2
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