CID 99689973

Dtxsid00896682

Structural Information

Molecular Formula
C10F19I
SMILES
C(=C(\F)/I)(\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
InChI
InChI=1S/C10F19I/c11-1(2(12)30)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/b2-1-
InChIKey
CNVIZYKCNXLGGZ-UPHRSURJSA-N
Compound name
(Z)-1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-1-iododec-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

607.87415 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 608.88143 203.0
[M+Na]+ 630.86337 210.0
[M-H]- 606.86687 210.1
[M+NH4]+ 625.90797 213.4
[M+K]+ 646.83731 218.5
[M+H-H2O]+ 590.87141 194.0
[M+HCOO]- 652.87235 218.2
[M+CH3COO]- 666.88800 242.4
[M+Na-2H]- 628.84882 201.7
[M]+ 607.87360 198.4
[M]- 607.87470 198.4
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.