CID 146075352

2137604-00-1

Structural Information

Molecular Formula
C9H6ClFO3
SMILES
C1C(C2=C(O1)C(=C(C=C2)Cl)F)C(=O)O
InChI
InChI=1S/C9H6ClFO3/c10-6-2-1-4-5(9(12)13)3-14-8(4)7(6)11/h1-2,5H,3H2,(H,12,13)
InChIKey
UOHFMKPEOGAJOH-UHFFFAOYSA-N
Compound name
6-chloro-7-fluoro-2,3-dihydro-1-benzofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.99895 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.00623 138.9
[M+Na]+ 238.98817 149.9
[M-H]- 214.99167 142.2
[M+NH4]+ 234.03277 159.7
[M+K]+ 254.96211 146.6
[M+H-H2O]+ 198.99621 134.6
[M+HCOO]- 260.99715 154.5
[M+CH3COO]- 275.01280 182.6
[M+Na-2H]- 236.97362 143.1
[M]+ 215.99840 140.9
[M]- 215.99950 140.9
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.