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

1628
Patents

619.9679 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 620.97518 184.3
[M+Na]+ 642.95712 188.9
[M-H]- 618.96062 193.8
[M+NH4]+ 638.00172 195.6
[M+K]+ 658.93106 201.7
[M+H-H2O]+ 602.96516 172.7
[M+HCOO]- 664.96610 201.3
[M+CH3COO]- 678.98175 254.7
[M+Na-2H]- 640.94257 186.4
[M]+ 619.96735 181.6
[M]- 619.96845 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