CID 4962297

3265-72-3

Structural Information

Molecular Formula
C10H4F4O3
SMILES
CC1=C(C2=C(O1)C(=C(C(=C2F)F)F)F)C(=O)O
InChI
InChI=1S/C10H4F4O3/c1-2-3(10(15)16)4-5(11)6(12)7(13)8(14)9(4)17-2/h1H3,(H,15,16)
InChIKey
PCQIMPCKDMEBLS-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

248.00966 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.01694 141.6
[M+Na]+ 270.99888 156.1
[M-H]- 247.00238 142.6
[M+NH4]+ 266.04348 161.0
[M+K]+ 286.97282 152.9
[M+H-H2O]+ 231.00692 134.1
[M+HCOO]- 293.00786 160.9
[M+CH3COO]- 307.02351 193.4
[M+Na-2H]- 268.98433 143.8
[M]+ 248.00911 142.4
[M]- 248.01021 142.4
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.