CID 52991870

51249-62-8

Structural Information

Molecular Formula
C8H3Br2F13
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/C8H3Br2F13/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
PXYDGESYUICOAX-UHFFFAOYSA-N
Compound name
7,8-dibromo-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

503.8394 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.84668 213.1
[M+Na]+ 526.82862 224.0
[M-H]- 502.83212 205.7
[M+NH4]+ 521.87322 224.1
[M+K]+ 542.80256 206.6
[M+H-H2O]+ 486.83666 212.4
[M+HCOO]- 548.83760 209.7
[M+CH3COO]- 562.85325 231.6
[M+Na-2H]- 524.81407 212.0
[M]+ 503.83885 226.4
[M]- 503.83995 226.4
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.