CID 165362591

7:3 beta-oh ua

Structural Information

Molecular Formula
C10H3F15O3
SMILES
C(=C(/C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)\O)\C(=O)O
InChI
InChI=1S/C10H3F15O3/c11-4(12,2(26)1-3(27)28)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h1,26H,(H,27,28)/b2-1-
InChIKey
ZZTLVWGFGISKOP-UPHRSURJSA-N
Compound name
(Z)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-3-hydroxydec-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

455.98425 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.99153 157.5
[M+Na]+ 478.97347 163.0
[M-H]- 454.97697 165.6
[M+NH4]+ 474.01807 165.6
[M+K]+ 494.94741 169.1
[M+H-H2O]+ 438.98151 147.8
[M+HCOO]- 500.98245 172.9
[M+CH3COO]- 514.99810 224.7
[M+Na-2H]- 476.95892 156.4
[M]+ 455.98370 154.4
[M]- 455.98480 154.4
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.