CID 720922

2-chloro-n-[(furan-2-yl)methyl]acetamide

Structural Information

Molecular Formula
C7H8ClNO2
SMILES
C1=COC(=C1)CNC(=O)CCl
InChI
InChI=1S/C7H8ClNO2/c8-4-7(10)9-5-6-2-1-3-11-6/h1-3H,4-5H2,(H,9,10)
InChIKey
DRDCOQBVIBGWCZ-UHFFFAOYSA-N
Compound name
2-chloro-N-(furan-2-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

173.02435 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.03163 135.0
[M+Na]+ 196.01357 143.1
[M-H]- 172.01707 139.2
[M+NH4]+ 191.05817 156.1
[M+K]+ 211.98751 141.4
[M+H-H2O]+ 156.02161 130.2
[M+HCOO]- 218.02255 156.0
[M+CH3COO]- 232.03820 177.3
[M+Na-2H]- 193.99902 141.3
[M]+ 173.02380 138.0
[M]- 173.02490 138.0
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