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 173.5
[M+Na]+ 258.95312 175.7
[M+NH4]+ 253.99772 174.2
[M+K]+ 274.92706 172.5
[M-H]- 234.95662 165.2
[M+Na-2H]- 256.93857 171.3
[M]+ 235.96335 171.2
[M]- 235.96445 171.2
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.