CID 5270736

2-(2,4-difluorophenoxy)carbonylcyclopentene-1-carboxylic acid

Structural Information

Molecular Formula
C13H10F2O4
SMILES
C1CC(=C(C1)C(=O)OC2=C(C=C(C=C2)F)F)C(=O)O
InChI
InChI=1S/C13H10F2O4/c14-7-4-5-11(10(15)6-7)19-13(18)9-3-1-2-8(9)12(16)17/h4-6H,1-3H2,(H,16,17)
InChIKey
FWOFGMFMPTWAPR-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenoxy)carbonylcyclopentene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.05472 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.06200 154.1
[M+Na]+ 291.04394 162.2
[M-H]- 267.04744 157.4
[M+NH4]+ 286.08854 171.5
[M+K]+ 307.01788 159.2
[M+H-H2O]+ 251.05198 146.3
[M+HCOO]- 313.05292 173.7
[M+CH3COO]- 327.06857 193.3
[M+Na-2H]- 289.02939 153.3
[M]+ 268.05417 152.3
[M]- 268.05527 152.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.