CID 19107738

1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-hexacosafluorotridec-1-ene

Structural Information

Molecular Formula
C13F26
SMILES
C(=C(F)F)(C(C(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)F)(F)F)F
InChI
InChI=1S/C13F26/c14-1(2(15)16)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)39
InChIKey
SAUHTGPUGJWMNX-UHFFFAOYSA-N
Compound name
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-hexacosafluorotridec-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

649.9585 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 650.965776 191.5
[M+Na]+ 672.947718 196.5
[M-H]- 648.951224 202.1
[M+NH4]+ 667.992323 203.8
[M+K]+ 688.921658 209.7
[M+H-H2O]+ 632.955760 180.3
[M+HCOO]- 694.956701 206.6
[M+CH3COO]- 708.972351 257.4
[M+Na-2H]- 670.933166 193.7
[M]+ 649.95795142 187.7
[M]- 649.95904858 187.7
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