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
2
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 157.9
[M+Na]+ 480.98912 163.4
[M-H]- 456.99262 164.3
[M+NH4]+ 476.03372 166.4
[M+K]+ 496.96306 169.4
[M+H-H2O]+ 440.99716 148.8
[M+HCOO]- 502.99810 176.2
[M+CH3COO]- 517.01375 227.8
[M+Na-2H]- 478.97457 156.7
[M]+ 457.99935 156.2
[M]- 458.00045 156.2
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.