CID 139597064

Dhopflca n=6

Structural Information

Molecular Formula
C11H4F16O3
SMILES
C(C(=O)O)OC(C(C(C(C(C(/C(=C/C(F)(F)F)/F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H4F16O3/c12-3(1-5(13,14)15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)30-2-4(28)29/h1H,2H2,(H,28,29)/b3-1-
InChIKey
SGLTWOYPCRYYKV-IWQZZHSRSA-N
Compound name
2-[(Z)-1,1,2,2,3,3,4,4,5,5,6,6,7,9,9,9-hexadecafluoronon-7-enoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

487.9905 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.99778 164.0
[M+Na]+ 510.97972 170.1
[M-H]- 486.98322 171.9
[M+NH4]+ 506.02432 174.0
[M+K]+ 526.95366 176.8
[M+H-H2O]+ 470.98776 155.2
[M+HCOO]- 532.98870 180.2
[M+CH3COO]- 547.00435 232.1
[M+Na-2H]- 508.96517 163.1
[M]+ 487.98995 161.1
[M]- 487.99105 161.1
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

No patent data available for this compound.