CID 10807503

1,1,1,2,2,3,3,4,4-nonafluorotridecane

Structural Information

Molecular Formula
C13H19F9
SMILES
CCCCCCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H19F9/c1-2-3-4-5-6-7-8-9-10(14,15)11(16,17)12(18,19)13(20,21)22/h2-9H2,1H3
InChIKey
UJXMIOVGPWESNH-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluorotridecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

346.1343 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.14158 175.4
[M+Na]+ 369.12352 181.9
[M-H]- 345.12702 163.9
[M+NH4]+ 364.16812 188.3
[M+K]+ 385.09746 178.0
[M+H-H2O]+ 329.13156 163.5
[M+HCOO]- 391.13250 180.9
[M+CH3COO]- 405.14815 215.2
[M+Na-2H]- 367.10897 176.4
[M]+ 346.13375 164.6
[M]- 346.13485 164.6
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