CID 139598138

Mhopflca n=9

Structural Information

Molecular Formula
C12H5F19O3
SMILES
C(C(=O)O)OCC(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/C12H5F19O3/c13-4(14,2-34-1-3(32)33)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)12(29,30)31/h1-2H2,(H,32,33)
InChIKey
ZAGFGQKQIYHIHM-UHFFFAOYSA-N
Compound name
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

557.9935 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.00078 172.8
[M+Na]+ 580.98272 177.1
[M-H]- 556.98622 181.9
[M+NH4]+ 576.02732 183.3
[M+K]+ 596.95666 187.0
[M+H-H2O]+ 540.99076 161.4
[M+HCOO]- 602.99170 190.2
[M+CH3COO]- 617.00735 243.5
[M+Na-2H]- 578.96817 172.1
[M]+ 557.99295 171.0
[M]- 557.99405 171.0
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.