CID 2733270

307-79-9

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
3
Annotation Hits

0
References

229
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 170.5
[M+Na]+ 550.97222 176.2
[M-H]- 526.97572 179.8
[M+NH4]+ 546.01682 182.2
[M+K]+ 566.94616 185.7
[M+H-H2O]+ 510.98026 160.0
[M+HCOO]- 572.98120 189.7
[M+CH3COO]- 586.99685 241.2
[M+Na-2H]- 548.95767 171.0
[M]+ 527.98245 169.6
[M]- 527.98355 169.6
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