CID 22002883

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorotetradecane

Structural Information

Molecular Formula
C14H13F17
SMILES
CCCCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H13F17/c1-2-3-4-5-6-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h2-6H2,1H3
InChIKey
DRBIBGYUOWJFGI-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorotetradecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

504.0746 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.08188 175.6
[M+Na]+ 527.06382 181.2
[M-H]- 503.06732 179.1
[M+NH4]+ 522.10842 183.4
[M+K]+ 543.03776 190.2
[M+H-H2O]+ 487.07186 164.9
[M+HCOO]- 549.07280 195.1
[M+CH3COO]- 563.08845 241.3
[M+Na-2H]- 525.04927 173.8
[M]+ 504.07405 174.6
[M]- 504.07515 174.6
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