CID 86205348

1,1,1,2,2,3,3,4,4-nonafluorotetradecane

Structural Information

Molecular Formula
C14H21F9
SMILES
CCCCCCCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H21F9/c1-2-3-4-5-6-7-8-9-10-11(15,16)12(17,18)13(19,20)14(21,22)23/h2-10H2,1H3
InChIKey
DXAWILAHNRJMEV-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluorotetradecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

360.14996 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.15724 180.0
[M+Na]+ 383.13918 186.2
[M-H]- 359.14268 168.4
[M+NH4]+ 378.18378 192.4
[M+K]+ 399.11312 182.0
[M+H-H2O]+ 343.14722 167.9
[M+HCOO]- 405.14816 185.3
[M+CH3COO]- 419.16381 218.1
[M+Na-2H]- 381.12463 180.5
[M]+ 360.14941 169.6
[M]- 360.15051 169.6
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