CID 2736786

1,8-dibromoperfluorooctane

Structural Information

Molecular Formula
C8Br2F16
SMILES
C(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(C(C(C(F)(F)Br)(F)F)(F)F)(F)F
InChI
InChI=1S/C8Br2F16/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
LYRJPHOHVRHNQH-UHFFFAOYSA-N
Compound name
1,8-dibromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

557.81116 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.81844 229.2
[M+Na]+ 580.80038 240.3
[M-H]- 556.80388 220.4
[M+NH4]+ 575.84498 236.5
[M+K]+ 596.77432 223.4
[M+H-H2O]+ 540.80842 226.8
[M+HCOO]- 602.80936 245.7
[M+CH3COO]- 616.82501 238.4
[M+Na-2H]- 578.78583 228.3
[M]+ 557.81061 236.7
[M]- 557.81171 236.7
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

patents stripe