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

9
Patents

227.03493 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.04221 147.8
[M+Na]+ 250.02415 156.0
[M-H]- 226.02765 153.5
[M+NH4]+ 245.06875 166.7
[M+K]+ 265.99809 154.7
[M+H-H2O]+ 210.03219 143.0
[M+HCOO]- 272.03313 165.6
[M+CH3COO]- 286.04878 187.5
[M+Na-2H]- 248.00960 154.7
[M]+ 227.03438 152.0
[M]- 227.03548 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