CID 53748475

132424-37-4

Structural Information

Molecular Formula
C12H7F17O2
SMILES
COC(=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H7F17O2/c1-31-4(30)2-3-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h2-3H2,1H3
InChIKey
CZMPFGNWUIUUEE-UHFFFAOYSA-N
Compound name
methyl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

506.01746 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.02474 163.2
[M+Na]+ 529.00668 163.2
[M+NH4]+ 524.05128 162.9
[M+K]+ 544.98062 163.4
[M-H]- 505.01018 161.7
[M+Na-2H]- 526.99213 163.3
[M]+ 506.01691 162.7
[M]- 506.01801 162.7
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