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]+ 175.015656 132.6
[M+Na]+ 196.997598 141.6
[M-H]- 173.001104 136.9
[M+NH4]+ 192.042203 154.0
[M+K]+ 212.971538 140.5
[M+H-H2O]+ 157.005640 128.2
[M+HCOO]- 219.006581 152.8
[M+CH3COO]- 233.022231 174.5
[M+Na-2H]- 194.983046 138.8
[M]+ 174.00783142 137.8
[M]- 174.00892858 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