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

219
Patents

647.9992 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 649.00648 190.6
[M+Na]+ 670.98842 194.4
[M-H]- 646.99192 200.0
[M+NH4]+ 666.03302 201.6
[M+K]+ 686.96236 208.1
[M+H-H2O]+ 630.99646 177.5
[M+HCOO]- 692.99740 209.0
[M+CH3COO]- 707.01305 258.3
[M+Na-2H]- 668.97387 192.0
[M]+ 647.99865 189.0
[M]- 647.99975 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