CID 89438352

Dtxsid40895457

Structural Information

Molecular Formula
C11F22
SMILES
C(=C(F)F)(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C11F22/c12-1(2(13)14)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)33
InChIKey
DVQLQARMQAHYFI-UHFFFAOYSA-N
Compound name
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoroundec-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

77
Patents

549.96484 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.972116 175.6
[M+Na]+ 572.954058 182.0
[M-H]- 548.957564 184.3
[M+NH4]+ 567.998663 186.9
[M+K]+ 588.927998 192.5
[M+H-H2O]+ 532.962100 165.8
[M+HCOO]- 594.963041 191.8
[M+CH3COO]- 608.978691 245.4
[M+Na-2H]- 570.939506 177.2
[M]+ 549.96429142 172.1
[M]- 549.96538858 172.1
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

patents stripe