CID 56587769

51249-63-9

Structural Information

Molecular Formula
C10H3Br2F17
SMILES
C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Br)Br
InChI
InChI=1S/C10H3Br2F17/c11-1-2(12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h2H,1H2
InChIKey
ZYFLRTOFRKYGGJ-UHFFFAOYSA-N
Compound name
9,10-dibromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

603.833 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 604.84028 240.0
[M+Na]+ 626.82222 243.2
[M-H]- 602.82572 242.3
[M+NH4]+ 621.86682 245.4
[M+K]+ 642.79616 233.3
[M+H-H2O]+ 586.83026 236.7
[M+HCOO]- 648.83120 251.4
[M+CH3COO]- 662.84685 243.9
[M+Na-2H]- 624.80767 236.9
[M]+ 603.83245 235.4
[M]- 603.83355 235.4
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.