CID 2774917

244022-64-8

Structural Information

Molecular Formula
C9H9F7O4
SMILES
C(CC(C(=O)O)C(=O)O)CC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H9F7O4/c10-7(11,8(12,13)9(14,15)16)3-1-2-4(5(17)18)6(19)20/h4H,1-3H2,(H,17,18)(H,19,20)
InChIKey
CGCPPBXAEGMASM-UHFFFAOYSA-N
Compound name
2-(4,4,5,5,6,6,6-heptafluorohexyl)propanedioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3
Patents

314.0389 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.04618 156.7
[M+Na]+ 337.02812 163.2
[M-H]- 313.03162 145.3
[M+NH4]+ 332.07272 169.2
[M+K]+ 353.00206 161.2
[M+H-H2O]+ 297.03616 147.3
[M+HCOO]- 359.03710 162.9
[M+CH3COO]- 373.05275 200.1
[M+Na-2H]- 335.01357 156.8
[M]+ 314.03835 146.7
[M]- 314.03945 146.7
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

patents stripe