CID 15529827

7,8-dichloro-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane

Structural Information

Molecular Formula
C8H3Cl2F13
SMILES
C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cl)Cl
InChI
InChI=1S/C8H3Cl2F13/c9-1-2(10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h2H,1H2
InChIKey
DCVKORWEQQJFNS-UHFFFAOYSA-N
Compound name
7,8-dichloro-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

415.94043 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.94771 166.0
[M+Na]+ 438.92965 176.2
[M-H]- 414.93315 152.4
[M+NH4]+ 433.97425 177.0
[M+K]+ 454.90359 169.9
[M+H-H2O]+ 398.93769 153.9
[M+HCOO]- 460.93863 157.7
[M+CH3COO]- 474.95428 221.5
[M+Na-2H]- 436.91510 168.2
[M]+ 415.93988 149.4
[M]- 415.94098 149.4
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

No patent data available for this compound.