CID 102102677

Methyl 5,5,6,6,7,7,8,8,9,9,9-undecafluoro-4-oxononanoate

Structural Information

Molecular Formula
C10H7F11O3
SMILES
COC(=O)CCC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H7F11O3/c1-24-5(23)3-2-4(22)6(11,12)7(13,14)8(15,16)9(17,18)10(19,20)21/h2-3H2,1H3
InChIKey
CQWOJQNNKNQDJW-UHFFFAOYSA-N
Compound name
methyl 5,5,6,6,7,7,8,8,9,9,9-undecafluoro-4-oxononanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

384.02194 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.02922 169.5
[M+Na]+ 407.01116 177.8
[M-H]- 383.01466 157.1
[M+NH4]+ 402.05576 163.9
[M+K]+ 422.98510 175.8
[M+H-H2O]+ 367.01920 157.4
[M+HCOO]- 429.02014 172.2
[M+CH3COO]- 443.03579 217.1
[M+Na-2H]- 404.99661 171.2
[M]+ 384.02139 155.5
[M]- 384.02249 155.5
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.