CID 53672127

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

Structural Information

Molecular Formula
C19H23F17
SMILES
CCCCCCCCCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C19H23F17/c1-2-3-4-5-6-7-8-9-10-11-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h2-11H2,1H3
InChIKey
VIPKARMAJZVVDC-UHFFFAOYSA-N
Compound name
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

36
Patents

574.15283 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.16011 193.9
[M+Na]+ 597.14205 198.6
[M-H]- 573.14555 195.9
[M+NH4]+ 592.18665 201.5
[M+K]+ 613.11599 209.3
[M+H-H2O]+ 557.15009 182.5
[M+HCOO]- 619.15103 211.7
[M+CH3COO]- 633.16668 253.5
[M+Na-2H]- 595.12750 189.8
[M]+ 574.15228 192.3
[M]- 574.15338 192.3
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