CID 22011097

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9-methyldecane

Structural Information

Molecular Formula
C11H11F13
SMILES
CC(C)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H11F13/c1-5(2)3-4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h5H,3-4H2,1-2H3
InChIKey
AVDKLXAZCBCCIL-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9-methyldecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

390.0653 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.07258 176.2
[M+Na]+ 413.05452 184.3
[M-H]- 389.05802 162.0
[M+NH4]+ 408.09912 167.2
[M+K]+ 429.02846 181.0
[M+H-H2O]+ 373.06256 162.7
[M+HCOO]- 435.06350 178.7
[M+CH3COO]- 449.07915 222.7
[M+Na-2H]- 411.03997 177.2
[M]+ 390.06475 156.7
[M]- 390.06585 156.7
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