CID 139595886

Dpas n=8

Structural Information

Molecular Formula
C11HF21O
SMILES
C(=C(/C(F)(F)F)\F)(\C(C(C(C(C(C(C(C(O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)/F
InChI
InChI=1S/C11HF21O/c12-1(2(13)4(16,17)18)3(14,15)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)33/h33H/b2-1+
InChIKey
LFJGBBBVTPKGLE-OWOJBTEDSA-N
Compound name
(E)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,11,11,11-henicosafluoroundec-9-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

547.9692 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.97648 173.6
[M+Na]+ 570.95842 178.9
[M-H]- 546.96192 182.8
[M+NH4]+ 566.00302 183.9
[M+K]+ 586.93236 189.3
[M+H-H2O]+ 530.96646 162.8
[M+HCOO]- 592.96740 188.8
[M+CH3COO]- 606.98305 242.7
[M+Na-2H]- 568.94387 174.3
[M]+ 547.96865 169.9
[M]- 547.96975 169.9
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.