CID 12663970

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorotetradecane

Structural Information

Molecular Formula
C14H5F25
SMILES
CCC(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)F
InChI
InChI=1S/C14H5F25/c1-2-3(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)12(33,34)13(35,36)14(37,38)39/h2H2,1H3
InChIKey
NMZHRKYJNDJFQW-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorotetradecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

234
Patents

647.9992 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 649.006476 190.6
[M+Na]+ 670.988418 194.4
[M-H]- 646.991924 200.0
[M+NH4]+ 666.033023 201.6
[M+K]+ 686.962358 208.1
[M+H-H2O]+ 630.996460 177.5
[M+HCOO]- 692.997401 209.0
[M+CH3COO]- 707.013051 258.3
[M+Na-2H]- 668.973866 192.0
[M]+ 647.99865142 189.0
[M]- 647.99974858 189.0
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