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
2
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 166.6
[M+Na]+ 404.96862 176.6
[M-H]- 380.97212 152.8
[M+NH4]+ 400.01322 178.3
[M+K]+ 420.94256 171.4
[M+H-H2O]+ 364.97666 153.7
[M+HCOO]- 426.97760 162.9
[M+CH3COO]- 440.99325 217.2
[M+Na-2H]- 402.95407 169.8
[M]+ 381.97885 148.8
[M]- 381.97995 148.8
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