CID 4619932

Furfuryl 2-chloroacetate

Structural Information

Molecular Formula
C7H7ClO3
SMILES
C1=COC(=C1)COC(=O)CCl
InChI
InChI=1S/C7H7ClO3/c8-4-7(9)11-5-6-2-1-3-10-6/h1-3H,4-5H2
InChIKey
HNRKHNATQNZLQP-UHFFFAOYSA-N
Compound name
furan-2-ylmethyl 2-chloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

174.00838 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.01566 132.6
[M+Na]+ 196.99760 141.6
[M-H]- 173.00110 136.9
[M+NH4]+ 192.04220 154.0
[M+K]+ 212.97154 140.5
[M+H-H2O]+ 157.00564 128.2
[M+HCOO]- 219.00658 152.8
[M+CH3COO]- 233.02223 174.5
[M+Na-2H]- 194.98305 138.8
[M]+ 174.00783 137.8
[M]- 174.00893 137.8
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