CID 71425836

919005-39-3

Structural Information

Molecular Formula
C8H4F12O3
SMILES
C(C(=O)O)OC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F)(F)F
InChI
InChI=1S/C8H4F12O3/c9-3(5(12,13)23-1-2(21)22)4(10,11)6(14,15)7(16,17)8(18,19)20/h3H,1H2,(H,21,22)
InChIKey
IHDYADYLSULBLI-UHFFFAOYSA-N
Compound name
2-(1,1,2,3,3,4,4,5,5,6,6,6-dodecafluorohexoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

375.9969 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.00418 165.2
[M+Na]+ 398.98612 173.5
[M-H]- 374.98962 150.5
[M+NH4]+ 394.03072 155.1
[M+K]+ 414.96006 171.3
[M+H-H2O]+ 358.99416 152.6
[M+HCOO]- 420.99510 164.0
[M+CH3COO]- 435.01075 213.6
[M+Na-2H]- 396.97157 166.6
[M]+ 375.99635 147.9
[M]- 375.99745 147.9
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.