CID 10242855

149809-31-4

Structural Information

Molecular Formula
C10H10ClNO3
SMILES
C1COC2=C(O1)C=C(C(=C2)N)C(=O)CCl
InChI
InChI=1S/C10H10ClNO3/c11-5-8(13)6-3-9-10(4-7(6)12)15-2-1-14-9/h3-4H,1-2,5,12H2
InChIKey
XIVQDDQILMFQIK-UHFFFAOYSA-N
Compound name
1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-2-chloroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

227.03493 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.042206 146.9
[M+Na]+ 250.024148 155.1
[M-H]- 226.027654 152.1
[M+NH4]+ 245.068753 163.8
[M+K]+ 265.998088 153.7
[M+H-H2O]+ 210.032190 141.6
[M+HCOO]- 272.033131 161.9
[M+CH3COO]- 286.048781 189.3
[M+Na-2H]- 248.009596 153.6
[M]+ 227.03438142 148.6
[M]- 227.03547858 148.6
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

patents stripe