CID 21731515

59665-26-8

Structural Information

Molecular Formula
C10H2Br3F17
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)Br
InChI
InChI=1S/C10H2Br3F17/c11-1-2(12,13)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)30/h1H2
InChIKey
JSAHWGDHPZKEPF-UHFFFAOYSA-N
Compound name
9,9,10-tribromo-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

681.7435 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 682.75078 283.7
[M+Na]+ 704.73272 287.0
[M-H]- 680.73622 286.9
[M+NH4]+ 699.77732 288.8
[M+K]+ 720.70666 292.0
[M+H-H2O]+ 664.74076 255.5
[M+HCOO]- 726.74170 294.0
[M+CH3COO]- 740.75735 249.2
[M+Na-2H]- 702.71817 246.7
[M]+ 681.74295 282.0
[M]- 681.74405 282.0
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.