CID 1581246

N-(1,3-dioxaindan-5-yl)-3-chloropropanamide

Structural Information

Molecular Formula
C10H10ClNO3
SMILES
C1OC2=C(O1)C=C(C=C2)NC(=O)CCCl
InChI
InChI=1S/C10H10ClNO3/c11-4-3-10(13)12-7-1-2-8-9(5-7)15-6-14-8/h1-2,5H,3-4,6H2,(H,12,13)
InChIKey
PMZCNFYSDCOWEK-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-yl)-3-chloropropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

227.03493 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.042206 147.8
[M+Na]+ 250.024148 156.0
[M-H]- 226.027654 153.5
[M+NH4]+ 245.068753 166.7
[M+K]+ 265.998088 154.7
[M+H-H2O]+ 210.032190 143.0
[M+HCOO]- 272.033131 165.6
[M+CH3COO]- 286.048781 187.5
[M+Na-2H]- 248.009596 154.7
[M]+ 227.03438142 152.0
[M]- 227.03547858 152.0
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