CID 139597367

Mhopflca n=7

Structural Information

Molecular Formula
C10H5F15O3
SMILES
C(C(=O)O)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H5F15O3/c11-4(12,2-28-1-3(26)27)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h1-2H2,(H,26,27)
InChIKey
USPJBAQMHWWHRR-UHFFFAOYSA-N
Compound name
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.9999 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.00718 170.4
[M+Na]+ 480.98912 170.3
[M+NH4]+ 476.03372 169.7
[M+K]+ 496.96306 170.0
[M-H]- 456.99262 167.5
[M+Na-2H]- 478.97457 169.6
[M]+ 457.99935 169.5
[M]- 458.00045 169.5
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.