CID 12722

1,1,1,3,3,3-hexafluoropropane

Structural Information

Molecular Formula
C3H2F6
SMILES
C(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2
InChIKey
NSGXIBWMJZWTPY-UHFFFAOYSA-N
Compound name
1,1,1,3,3,3-hexafluoropropane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

7
References

36825
Patents

152.00607 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.01335 120.0
[M+Na]+ 174.99529 129.6
[M-H]- 150.99879 113.3
[M+NH4]+ 170.03989 141.0
[M+K]+ 190.96923 128.6
[M+H-H2O]+ 135.00333 111.8
[M+HCOO]- 197.00427 135.2
[M+CH3COO]- 211.01992 175.0
[M+Na-2H]- 172.98074 126.4
[M]+ 152.00552 111.0
[M]- 152.00662 111.0
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