CID 131852584

3-(heptafluoropropyl)pentanedioic acid

Structural Information

Molecular Formula
C8H7F7O4
SMILES
C(C(CC(=O)O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)O
InChI
InChI=1S/C8H7F7O4/c9-6(10,7(11,12)8(13,14)15)3(1-4(16)17)2-5(18)19/h3H,1-2H2,(H,16,17)(H,18,19)
InChIKey
WUYMKOFAXHRRAD-UHFFFAOYSA-N
Compound name
3-(1,1,2,2,3,3,3-heptafluoropropyl)pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

300.02325 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.03053 152.0
[M+Na]+ 323.01247 158.9
[M-H]- 299.01597 140.8
[M+NH4]+ 318.05707 165.0
[M+K]+ 338.98641 157.1
[M+H-H2O]+ 283.02051 142.8
[M+HCOO]- 345.02145 158.5
[M+CH3COO]- 359.03710 197.2
[M+Na-2H]- 320.99792 152.6
[M]+ 300.02270 141.6
[M]- 300.02380 141.6
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.