CID 13879327

110260-75-8

Structural Information

Molecular Formula
C10H7F13O2
SMILES
COC(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H7F13O2/c1-25-4(24)2-3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2-3H2,1H3
InChIKey
RJTDDBAPCSPXHO-UHFFFAOYSA-N
Compound name
methyl 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

406.02383 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.03111 176.4
[M+Na]+ 429.01305 185.0
[M-H]- 405.01655 160.1
[M+NH4]+ 424.05765 164.5
[M+K]+ 444.98699 182.4
[M+H-H2O]+ 389.02109 162.9
[M+HCOO]- 451.02203 175.6
[M+CH3COO]- 465.03768 221.8
[M+Na-2H]- 426.99850 178.5
[M]+ 406.02328 155.4
[M]- 406.02438 155.4
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

patents stripe