CID 3017477

64018-25-3

Structural Information

Molecular Formula
C8H4ClF13
SMILES
C(CCl)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H4ClF13/c9-2-1-3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h1-2H2
InChIKey
TYIZCYGZKIZQIH-UHFFFAOYSA-N
Compound name
8-chloro-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.9794 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.98668 184.4
[M+Na]+ 404.96862 184.4
[M+NH4]+ 400.01322 183.6
[M+K]+ 420.94256 182.8
[M-H]- 380.97212 179.9
[M+Na-2H]- 402.95407 182.3
[M]+ 381.97885 183.0
[M]- 381.97995 183.0
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

No patent data available for this compound.