CID 2441058

733762-53-3

Structural Information

Molecular Formula
C9H6ClF2NO3
SMILES
C1=CC2=C(C=C1NC(=O)CCl)OC(O2)(F)F
InChI
InChI=1S/C9H6ClF2NO3/c10-4-8(14)13-5-1-2-6-7(3-5)16-9(11,12)15-6/h1-3H,4H2,(H,13,14)
InChIKey
YLZVYUZJEUZJMX-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.00043 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.00771 145.9
[M+Na]+ 271.98965 156.5
[M-H]- 247.99315 149.6
[M+NH4]+ 267.03425 166.0
[M+K]+ 287.96359 154.6
[M+H-H2O]+ 231.99769 140.4
[M+HCOO]- 293.99863 161.9
[M+CH3COO]- 308.01428 190.6
[M+Na-2H]- 269.97510 152.9
[M]+ 248.99988 148.3
[M]- 249.00098 148.3
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.