CID 6426

1,1-difluorotetrachloroethane

Structural Information

Molecular Formula
C2Cl4F2
SMILES
C(C(Cl)(Cl)Cl)(F)(F)Cl
InChI
InChI=1S/C2Cl4F2/c3-1(4,5)2(6,7)8
InChIKey
SLGOCMATMKJJCE-UHFFFAOYSA-N
Compound name
1,1,1,2-tetrachloro-2,2-difluoroethane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

4
References

4376
Patents

201.87222 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.879496 129.4
[M+Na]+ 224.861438 139.2
[M-H]- 200.864944 124.9
[M+NH4]+ 219.906043 148.8
[M+K]+ 240.835378 134.3
[M+H-H2O]+ 184.869480 127.1
[M+HCOO]- 246.870421 128.8
[M+CH3COO]- 260.886071 182.4
[M+Na-2H]- 222.846886 134.7
[M]+ 201.87167142 127.0
[M]- 201.87276858 127.0
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