CID 61340

1,1,1-trichloropentafluoropropane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

591
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 130.5
[M+Na]+ 258.88779 141.3
[M-H]- 234.89129 124.1
[M+NH4]+ 253.93239 149.4
[M+K]+ 274.86173 136.0
[M+H-H2O]+ 218.89583 125.5
[M+HCOO]- 280.89677 130.9
[M+CH3COO]- 294.91242 186.8
[M+Na-2H]- 256.87324 136.4
[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

literature stripe

Patent stripe

patents stripe