CID 15335

1,2,2-trichloropentafluoropropane

Structural Information

Molecular Formula
C3Cl3F5
SMILES
C(C(F)(F)F)(C(F)(F)Cl)(Cl)Cl
InChI
InChI=1S/C3Cl3F5/c4-1(5,2(6,7)8)3(9,10)11
InChIKey
SFCFZNZZFJRHSD-UHFFFAOYSA-N
Compound name
1,2,2-trichloro-1,1,3,3,3-pentafluoropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

281
Patents

235.89857 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.90585 130.4
[M+Na]+ 258.88779 141.1
[M-H]- 234.89129 123.9
[M+NH4]+ 253.93239 149.2
[M+K]+ 274.86173 135.8
[M+H-H2O]+ 218.89583 125.3
[M+HCOO]- 280.89677 130.8
[M+CH3COO]- 294.91242 187.4
[M+Na-2H]- 256.87324 136.2
[M]+ 235.89802 125.5
[M]- 235.89912 125.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe