CID 9775

1,1-dichlorotetrafluoroethane

Structural Information

Molecular Formula
C2Cl2F4
SMILES
C(C(F)(Cl)Cl)(F)(F)F
InChI
InChI=1S/C2Cl2F4/c3-1(4,5)2(6,7)8
InChIKey
BAMUEXIPKSRTBS-UHFFFAOYSA-N
Compound name
1,1-dichloro-1,2,2,2-tetrafluoroethane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

5
References

35152
Patents

169.93132 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.93860 118.4
[M+Na]+ 192.92054 129.3
[M-H]- 168.92404 113.8
[M+NH4]+ 187.96514 140.1
[M+K]+ 208.89448 125.4
[M+H-H2O]+ 152.92858 113.6
[M+HCOO]- 214.92952 126.7
[M+CH3COO]- 228.94517 175.5
[M+Na-2H]- 190.90599 125.6
[M]+ 169.93077 114.8
[M]- 169.93187 114.8
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