CID 138395138

1h,1h,2h,2h-perfluorododecyl acetate

Structural Information

Molecular Formula
C14H7F21O2
SMILES
CC(=O)OCCC(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
InChI
InChI=1S/C14H7F21O2/c1-4(36)37-3-2-5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)12(29,30)13(31,32)14(33,34)35/h2-3H2,1H3
InChIKey
OPXUYFLZHIENEF-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

606.01105 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.01833 185.5
[M+Na]+ 629.00027 190.3
[M-H]- 605.00377 195.4
[M+NH4]+ 624.04487 197.9
[M+K]+ 644.97421 202.0
[M+H-H2O]+ 589.00831 173.9
[M+HCOO]- 651.00925 203.4
[M+CH3COO]- 665.02490 252.5
[M+Na-2H]- 626.98572 185.5
[M]+ 606.01050 184.4
[M]- 606.01160 184.4
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

No patent data available for this compound.