CID 99647727

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoroheptadecane

Structural Information

Molecular Formula
C17H15F21
SMILES
CCCCCCCC(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)(F)F)(F)F
InChI
InChI=1S/C17H15F21/c1-2-3-4-5-6-7-8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)16(34,35)17(36,37)38/h2-7H2,1H3
InChIKey
YIQQEZHSYXXRHO-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoroheptadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

618.08386 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 619.09114 193.1
[M+Na]+ 641.07308 197.3
[M-H]- 617.07658 199.2
[M+NH4]+ 636.11768 202.8
[M+K]+ 657.04702 210.0
[M+H-H2O]+ 601.08112 180.5
[M+HCOO]- 663.08206 211.3
[M+CH3COO]- 677.09771 257.4
[M+Na-2H]- 639.05853 191.6
[M]+ 618.08331 191.6
[M]- 618.08441 191.6
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