CID 165943556

4-chloro-3-methoxy-7-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-one

Structural Information

Molecular Formula
C10H6ClF3O3
SMILES
COC1C2=C(C=CC(=C2C(=O)O1)C(F)(F)F)Cl
InChI
InChI=1S/C10H6ClF3O3/c1-16-9-7-5(11)3-2-4(10(12,13)14)6(7)8(15)17-9/h2-3,9H,1H3
InChIKey
LQJBQJVCHWXQIA-UHFFFAOYSA-N
Compound name
4-chloro-3-methoxy-7-(trifluoromethyl)-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.99576 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.00304 148.5
[M+Na]+ 288.98498 161.1
[M-H]- 264.98848 150.8
[M+NH4]+ 284.02958 168.3
[M+K]+ 304.95892 157.7
[M+H-H2O]+ 248.99302 142.5
[M+HCOO]- 310.99396 162.5
[M+CH3COO]- 325.00961 193.7
[M+Na-2H]- 286.97043 152.9
[M]+ 265.99521 150.7
[M]- 265.99631 150.7
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

No patent data available for this compound.