CID 14717644

19-bromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorononadecane

Structural Information

Molecular Formula
C19H22BrF17
SMILES
C(CCCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCCCBr
InChI
InChI=1S/C19H22BrF17/c20-11-9-7-5-3-1-2-4-6-8-10-12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)19(35,36)37/h1-11H2
InChIKey
CGGQUPOCGJBCMK-UHFFFAOYSA-N
Compound name
19-bromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorononadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

26
Patents

652.06335 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 653.07063 220.9
[M+Na]+ 675.05257 225.3
[M-H]- 651.05607 222.5
[M+NH4]+ 670.09717 228.2
[M+K]+ 691.02651 235.6
[M+H-H2O]+ 635.06061 209.9
[M+HCOO]- 697.06155 236.9
[M+CH3COO]- 711.07720 257.4
[M+Na-2H]- 673.03802 215.5
[M]+ 652.06280 218.0
[M]- 652.06390 218.0
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

patents stripe