CID 23236469

59665-28-0

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]+ 502.83101 211.4
[M+Na]+ 524.81295 222.5
[M-H]- 500.81645 204.0
[M+NH4]+ 519.85755 222.4
[M+K]+ 540.78689 204.8
[M+H-H2O]+ 484.82099 210.8
[M+HCOO]- 546.82193 208.2
[M+CH3COO]- 560.83758 230.3
[M+Na-2H]- 522.79840 210.4
[M]+ 501.82318 224.2
[M]- 501.82428 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.