CID 23236469

1,2-dibromo-1-(perfluoro-n-hexyl)ethylene

Structural Information

Molecular Formula
C8HBr2F13
SMILES
C(=C(/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)\Br)\Br
InChI
InChI=1S/C8HBr2F13/c9-1-2(10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h1H/b2-1-
InChIKey
YCJFSPFBPAMUCR-UPHRSURJSA-N
Compound name
(Z)-1,2-dibromo-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

501.82373 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.831006 211.4
[M+Na]+ 524.812948 222.5
[M-H]- 500.816454 204.0
[M+NH4]+ 519.857553 222.4
[M+K]+ 540.786888 204.8
[M+H-H2O]+ 484.820990 210.8
[M+HCOO]- 546.821931 208.2
[M+CH3COO]- 560.837581 230.3
[M+Na-2H]- 522.798396 210.4
[M]+ 501.82318142 224.2
[M]- 501.82427858 224.2
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.