CID 2776305

129794-54-3

Structural Information

Molecular Formula
C14H13F17O
SMILES
C(CCCO)CCC(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/C14H13F17O/c15-7(16,5-3-1-2-4-6-32)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h32H,1-6H2
InChIKey
LNZANUNVXAAVRW-UHFFFAOYSA-N
Compound name
7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

99
Patents

520.0695 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.07678 174.3
[M+Na]+ 543.05872 178.7
[M-H]- 519.06222 178.1
[M+NH4]+ 538.10332 180.9
[M+K]+ 559.03266 187.7
[M+H-H2O]+ 503.06676 162.8
[M+HCOO]- 565.06770 192.6
[M+CH3COO]- 579.08335 240.6
[M+Na-2H]- 541.04417 171.7
[M]+ 520.06895 172.2
[M]- 520.07005 172.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe