CID 61288

1,1,1,3-tetrachlorotetrafluoropropane

Structural Information

Molecular Formula
C3Cl4F4
SMILES
C(C(F)(F)Cl)(C(Cl)(Cl)Cl)(F)F
InChI
InChI=1S/C3Cl4F4/c4-2(5,6)1(8,9)3(7,10)11
InChIKey
IQJADVFBZGJGSI-UHFFFAOYSA-N
Compound name
1,1,1,3-tetrachloro-2,2,3,3-tetrafluoropropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

466
Patents

251.86902 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.87630 136.1
[M+Na]+ 274.85824 146.0
[M-H]- 250.86174 129.6
[M+NH4]+ 269.90284 153.6
[M+K]+ 290.83218 140.5
[M+H-H2O]+ 234.86628 132.1
[M+HCOO]- 296.86722 132.1
[M+CH3COO]- 310.88287 190.8
[M+Na-2H]- 272.84369 140.8
[M]+ 251.86847 131.5
[M]- 251.86957 131.5
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