CID 139595757

Mhpflca n=3

Structural Information

Molecular Formula
C8H8F8O2
SMILES
C(C(F)F)C(CC(CC(C(=O)O)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H8F8O2/c9-4(10)1-6(11,12)2-7(13,14)3-8(15,16)5(17)18/h4H,1-3H2,(H,17,18)
InChIKey
KJEZYIAMIUWVSQ-UHFFFAOYSA-N
Compound name
2,2,4,4,6,6,8,8-octafluorooctanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

288.03964 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.04692 152.1
[M+Na]+ 311.02886 159.5
[M-H]- 287.03236 141.0
[M+NH4]+ 306.07346 166.3
[M+K]+ 327.00280 157.1
[M+H-H2O]+ 271.03690 141.8
[M+HCOO]- 333.03784 159.2
[M+CH3COO]- 347.05349 199.4
[M+Na-2H]- 309.01431 153.1
[M]+ 288.03909 140.7
[M]- 288.04019 140.7
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.