CID 43337510

6-(2-chloro-6-fluorobenzoyl)-2,3-dihydro-1,4-benzodioxine

Structural Information

Molecular Formula
C15H10ClFO3
SMILES
C1COC2=C(O1)C=CC(=C2)C(=O)C3=C(C=CC=C3Cl)F
InChI
InChI=1S/C15H10ClFO3/c16-10-2-1-3-11(17)14(10)15(18)9-4-5-12-13(8-9)20-7-6-19-12/h1-5,8H,6-7H2
InChIKey
TYMWKIKGDSHQRS-UHFFFAOYSA-N
Compound name
(2-chloro-6-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.03024 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.03752 161.5
[M+Na]+ 315.01946 170.9
[M-H]- 291.02296 169.1
[M+NH4]+ 310.06406 176.1
[M+K]+ 330.99340 168.0
[M+H-H2O]+ 275.02750 153.8
[M+HCOO]- 337.02844 174.8
[M+CH3COO]- 351.04409 173.7
[M+Na-2H]- 313.00491 167.2
[M]+ 292.02969 163.6
[M]- 292.03079 163.6
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.