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]+ 456.991526 157.5
[M+Na]+ 478.973468 163.0
[M-H]- 454.976974 165.6
[M+NH4]+ 474.018073 165.6
[M+K]+ 494.947408 169.1
[M+H-H2O]+ 438.981510 147.8
[M+HCOO]- 500.982451 172.9
[M+CH3COO]- 514.998101 224.7
[M+Na-2H]- 476.958916 156.4
[M]+ 455.98370142 154.4
[M]- 455.98479858 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

literature stripe

Patent stripe

No patent data available for this compound.