CID 53195

75228-88-5

Structural Information

Molecular Formula
C9H11Cl2NO3
SMILES
C1=C(OC(=C1)Cl)CN(CCO)C(=O)CCl
InChI
InChI=1S/C9H11Cl2NO3/c10-5-9(14)12(3-4-13)6-7-1-2-8(11)15-7/h1-2,13H,3-6H2
InChIKey
NCSQPKYSVSDEEI-UHFFFAOYSA-N
Compound name
2-chloro-N-[(5-chlorofuran-2-yl)methyl]-N-(2-hydroxyethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.0116 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.01888 153.7
[M+Na]+ 274.00082 161.8
[M-H]- 250.00432 157.3
[M+NH4]+ 269.04542 172.2
[M+K]+ 289.97476 158.9
[M+H-H2O]+ 234.00886 149.4
[M+HCOO]- 296.00980 168.1
[M+CH3COO]- 310.02545 192.0
[M+Na-2H]- 271.98627 156.3
[M]+ 251.01105 159.5
[M]- 251.01215 159.5
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

No patent data available for this compound.