CID 2733270

Methyl perfluorodecanoate

Structural Information

Molecular Formula
C11H3F19O2
SMILES
COC(=O)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
InChI
InChI=1S/C11H3F19O2/c1-32-2(31)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)30/h1H3
InChIKey
QJFHNYDPNSFJMR-UHFFFAOYSA-N
Compound name
methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

219
Patents

527.983 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.99028 160.0
[M+Na]+ 550.97222 160.1
[M+NH4]+ 546.01682 159.9
[M+K]+ 566.94616 160.6
[M-H]- 526.97572 159.3
[M+Na-2H]- 548.95767 160.6
[M]+ 527.98245 159.8
[M]- 527.98355 159.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe