CID 13300297

1-chloroperfluoropentane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 146.2
[M+Na]+ 326.94052 157.0
[M-H]- 302.94402 134.4
[M+NH4]+ 321.98512 161.2
[M+K]+ 342.91446 152.7
[M+H-H2O]+ 286.94856 135.1
[M+HCOO]- 348.94950 146.7
[M+CH3COO]- 362.96515 202.4
[M+Na-2H]- 324.92597 151.0
[M]+ 303.95075 130.9
[M]- 303.95185 130.9
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