CID 19069329

Chloromethyl cyclopropanecarboxylate

Structural Information

Molecular Formula
C5H7ClO2
SMILES
C1CC1C(=O)OCCl
InChI
InChI=1S/C5H7ClO2/c6-3-8-5(7)4-1-2-4/h4H,1-3H2
InChIKey
IXIYAEZKKVCJFK-UHFFFAOYSA-N
Compound name
chloromethyl cyclopropanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

134.01346 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.02074 122.6
[M+Na]+ 157.00268 132.8
[M-H]- 133.00618 127.4
[M+NH4]+ 152.04728 140.5
[M+K]+ 172.97662 130.3
[M+H-H2O]+ 117.01072 118.0
[M+HCOO]- 179.01166 142.4
[M+CH3COO]- 193.02731 173.5
[M+Na-2H]- 154.98813 129.2
[M]+ 134.01291 127.8
[M]- 134.01401 127.8
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