CID 12640351

75822-10-5

Structural Information

Molecular Formula
C10H7F3O2
SMILES
C1COC2=C1C=C(C=C2)C(=O)C(F)(F)F
InChI
InChI=1S/C10H7F3O2/c11-10(12,13)9(14)7-1-2-8-6(5-7)3-4-15-8/h1-2,5H,3-4H2
InChIKey
DHVXSSMVNLIPPN-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.03981 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.04709 140.1
[M+Na]+ 239.02903 149.1
[M-H]- 215.03253 141.6
[M+NH4]+ 234.07363 160.2
[M+K]+ 255.00297 147.5
[M+H-H2O]+ 199.03707 133.0
[M+HCOO]- 261.03801 157.6
[M+CH3COO]- 275.05366 185.1
[M+Na-2H]- 237.01448 145.6
[M]+ 216.03926 137.0
[M]- 216.04036 137.0
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.