CID 2788657

256411-48-0

Structural Information

Molecular Formula
C10H8F3NO3
SMILES
C1COC2=C(O1)C=CC(=C2)NC(=O)C(F)(F)F
InChI
InChI=1S/C10H8F3NO3/c11-10(12,13)9(15)14-6-1-2-7-8(5-6)17-4-3-16-7/h1-2,5H,3-4H2,(H,14,15)
InChIKey
QDOWSCHKYQBJPM-UHFFFAOYSA-N
Compound name
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.04562 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.05290 148.3
[M+Na]+ 270.03484 155.6
[M-H]- 246.03834 149.9
[M+NH4]+ 265.07944 163.5
[M+K]+ 286.00878 155.4
[M+H-H2O]+ 230.04288 139.6
[M+HCOO]- 292.04382 163.8
[M+CH3COO]- 306.05947 192.2
[M+Na-2H]- 268.02029 156.3
[M]+ 247.04507 144.3
[M]- 247.04617 144.3
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.