CID 164855

1-chloro-1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propane

Structural Information

Molecular Formula
C4HClF8
SMILES
C(C(F)(F)F)(C(F)(F)F)C(F)(F)Cl
InChI
InChI=1S/C4HClF8/c5-2(6,7)1(3(8,9)10)4(11,12)13/h1H
InChIKey
CEDICJGZCAKHTA-UHFFFAOYSA-N
Compound name
1-chloro-1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.9639 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.97118 132.1
[M+Na]+ 258.95312 142.4
[M-H]- 234.95662 123.1
[M+NH4]+ 253.99772 150.3
[M+K]+ 274.92706 138.9
[M+H-H2O]+ 218.96116 123.1
[M+HCOO]- 280.96210 138.1
[M+CH3COO]- 294.97775 189.2
[M+Na-2H]- 256.93857 136.3
[M]+ 235.96335 121.5
[M]- 235.96445 121.5
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

No patent data available for this compound.