CID 76206

Allyl chloroacetate

Structural Information

Molecular Formula
C5H7ClO2
SMILES
C=CCOC(=O)CCl
InChI
InChI=1S/C5H7ClO2/c1-2-3-8-5(7)4-6/h2H,1,3-4H2
InChIKey
VMBJJCDVORDOCF-UHFFFAOYSA-N
Compound name
prop-2-enyl 2-chloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2614
Patents

134.01346 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.02074 122.6
[M+Na]+ 157.00268 131.5
[M-H]- 133.00618 123.2
[M+NH4]+ 152.04728 145.5
[M+K]+ 172.97662 129.6
[M+H-H2O]+ 117.01072 119.5
[M+HCOO]- 179.01166 142.2
[M+CH3COO]- 193.02731 170.4
[M+Na-2H]- 154.98813 128.8
[M]+ 134.01291 126.1
[M]- 134.01401 126.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe