CID 2736686

2-chloro-2-(trifluoromethyl)perfluoropentane

Structural Information

Molecular Formula
C6ClF13
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)Cl
InChI
InChI=1S/C6ClF13/c7-1(4(12,13)14,5(15,16)17)2(8,9)3(10,11)6(18,19)20
InChIKey
NTLNMNNHUJOUOM-UHFFFAOYSA-N
Compound name
2-chloro-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

9
Patents

353.9481 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.95538 157.5
[M+Na]+ 376.93732 168.4
[M-H]- 352.94082 144.2
[M+NH4]+ 371.98192 170.4
[M+K]+ 392.91126 163.7
[M+H-H2O]+ 336.94536 145.1
[M+HCOO]- 398.94630 154.5
[M+CH3COO]- 412.96195 210.6
[M+Na-2H]- 374.92277 161.7
[M]+ 353.94755 138.9
[M]- 353.94865 138.9
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