CID 74244

1,1,3-trichloro-1,2,2,3,3-pentafluoropropane

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

124
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 130.2
[M+Na]+ 258.88779 140.9
[M-H]- 234.89129 123.8
[M+NH4]+ 253.93239 148.9
[M+K]+ 274.86173 135.5
[M+H-H2O]+ 218.89583 125.1
[M+HCOO]- 280.89677 130.6
[M+CH3COO]- 294.91242 188.1
[M+Na-2H]- 256.87324 136.1
[M]+ 235.89802 125.4
[M]- 235.89912 125.4
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