CID 3152116

42477-07-6

Structural Information

Molecular Formula
C10H10ClNO3
SMILES
C1COC2=C(O1)C=CC(=C2)NC(=O)CCl
InChI
InChI=1S/C10H10ClNO3/c11-6-10(13)12-7-1-2-8-9(5-7)15-4-3-14-8/h1-2,5H,3-4,6H2,(H,12,13)
InChIKey
IRXZWUUWXXDGEN-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

227.03493 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.04221 146.2
[M+Na]+ 250.02415 153.5
[M-H]- 226.02765 151.6
[M+NH4]+ 245.06875 163.1
[M+K]+ 265.99809 152.5
[M+H-H2O]+ 210.03219 140.6
[M+HCOO]- 272.03313 161.8
[M+CH3COO]- 286.04878 188.0
[M+Na-2H]- 248.00960 154.7
[M]+ 227.03438 148.3
[M]- 227.03548 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

patents stripe