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
3
Annotation Hits

0
References

366
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 178.5
[M+Na]+ 492.90139 189.2
[M-H]- 468.90489 163.4
[M+NH4]+ 487.94599 169.7
[M+K]+ 508.87533 182.9
[M+H-H2O]+ 452.90943 164.7
[M+HCOO]- 514.91037 182.6
[M+CH3COO]- 528.92602 230.6
[M+Na-2H]- 490.88684 181.9
[M]+ 469.91162 156.9
[M]- 469.91272 156.9
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