CID 10897303

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodoheptadecane

Structural Information

Molecular Formula
C17H22F13I
SMILES
CCCCCCCCCC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C17H22F13I/c1-2-3-4-5-6-7-8-9-11(31)10-12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h11H,2-10H2,1H3
InChIKey
CMOHQCMNURTYAP-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodoheptadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

600.05585 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 601.06313 220.0
[M+Na]+ 623.04507 226.3
[M-H]- 599.04857 219.7
[M+NH4]+ 618.08967 226.7
[M+K]+ 639.01901 233.3
[M+H-H2O]+ 583.05311 211.6
[M+HCOO]- 645.05405 234.5
[M+CH3COO]- 659.06970 245.7
[M+Na-2H]- 621.03052 213.3
[M]+ 600.05530 216.4
[M]- 600.05640 216.4
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

patents stripe