CID 2774033

1,8-dichloroperfluorooctane

Structural Information

Molecular Formula
C8Cl2F16
SMILES
C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F
InChI
InChI=1S/C8Cl2F16/c9-7(23,24)5(19,20)3(15,16)1(11,12)2(13,14)4(17,18)6(21,22)8(10,25)26
InChIKey
GFQXWORJCNTDPU-UHFFFAOYSA-N
Compound name
1,8-dichloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

345
Patents

469.91217 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.91945 175.3
[M+Na]+ 492.90139 175.3
[M+NH4]+ 487.94599 174.9
[M+K]+ 508.87533 174.7
[M-H]- 468.90489 173.3
[M+Na-2H]- 490.88684 174.5
[M]+ 469.91162 174.7
[M]- 469.91272 174.7
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