CID 61112

3,3-dichloro-1,1,1,2,2-pentafluoropropane

Structural Information

Molecular Formula
C3HCl2F5
SMILES
C(C(C(F)(F)F)(F)F)(Cl)Cl
InChI
InChI=1S/C3HCl2F5/c4-1(5)2(6,7)3(8,9)10/h1H
InChIKey
COAUHYBSXMIJDK-UHFFFAOYSA-N
Compound name
3,3-dichloro-1,1,1,2,2-pentafluoropropane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

5839
Patents

201.93755 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.94483 143.5
[M+Na]+ 224.92677 149.3
[M+NH4]+ 219.97137 147.4
[M+K]+ 240.90071 145.7
[M-H]- 200.93027 136.2
[M+Na-2H]- 222.91222 144.4
[M]+ 201.93700 142.3
[M]- 201.93810 142.3
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