CID 2782198

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-pentacosafluorododecane

Structural Information

Molecular Formula
C12HF25
SMILES
C(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/C12HF25/c13-1(14)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)37/h1H
InChIKey
PLYVHXBRPARTON-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-pentacosafluorododecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1637
Patents

619.9679 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 620.975176 184.3
[M+Na]+ 642.957118 188.9
[M-H]- 618.960624 193.8
[M+NH4]+ 638.001723 195.6
[M+K]+ 658.931058 201.7
[M+H-H2O]+ 602.965160 172.7
[M+HCOO]- 664.966101 201.3
[M+CH3COO]- 678.981751 254.7
[M+Na-2H]- 640.942566 186.4
[M]+ 619.96735142 181.6
[M]- 619.96844858 181.6
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