CID 13300296

2-chloroperfluoropentane

Structural Information

Molecular Formula
C5ClF11
SMILES
C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)Cl)(F)F
InChI
InChI=1S/C5ClF11/c6-1(7,4(12,13)14)2(8,9)3(10,11)5(15,16)17
InChIKey
JTMBKTHAZFWVAJ-UHFFFAOYSA-N
Compound name
2-chloro-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

303.9513 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.95858 146.3
[M+Na]+ 326.94052 157.2
[M-H]- 302.94402 134.6
[M+NH4]+ 321.98512 161.4
[M+K]+ 342.91446 152.9
[M+H-H2O]+ 286.94856 135.3
[M+HCOO]- 348.94950 146.9
[M+CH3COO]- 362.96515 201.8
[M+Na-2H]- 324.92597 151.1
[M]+ 303.95075 131.0
[M]- 303.95185 131.0
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

patents stripe