CID 116662

1,1-dichloro-1,3,3,3-tetrafluoropropane

Structural Information

Molecular Formula
C3H2Cl2F4
SMILES
C(C(F)(F)F)C(F)(Cl)Cl
InChI
InChI=1S/C3H2Cl2F4/c4-2(5,6)1-3(7,8)9/h1H2
InChIKey
JBSUEXFKGWKQFC-UHFFFAOYSA-N
Compound name
1,1-dichloro-1,3,3,3-tetrafluoropropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

148
Patents

183.94698 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.95426 134.9
[M+Na]+ 206.93620 142.4
[M+NH4]+ 201.98080 140.1
[M+K]+ 222.91014 138.1
[M-H]- 182.93970 128.7
[M+Na-2H]- 204.92165 137.1
[M]+ 183.94643 134.4
[M]- 183.94753 134.4
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

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