CID 2737558

N-(2,5-dichloropentyl)acetamide

Structural Information

Molecular Formula
C7H13Cl2NO
SMILES
CC(=O)NCC(CCCCl)Cl
InChI
InChI=1S/C7H13Cl2NO/c1-6(11)10-5-7(9)3-2-4-8/h7H,2-5H2,1H3,(H,10,11)
InChIKey
OARSQJRTKUKHOP-UHFFFAOYSA-N
Compound name
N-(2,5-dichloropentyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

197.03741 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.04469 141.7
[M+Na]+ 220.02663 148.6
[M-H]- 196.03013 141.1
[M+NH4]+ 215.07123 162.0
[M+K]+ 236.00057 144.9
[M+H-H2O]+ 180.03467 138.6
[M+HCOO]- 242.03561 155.1
[M+CH3COO]- 256.05126 185.6
[M+Na-2H]- 218.01208 144.7
[M]+ 197.03686 144.5
[M]- 197.03796 144.5
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