CID 11018941

13157-96-5

Structural Information

Molecular Formula
C4H7ClO3
SMILES
COC(C(=O)OC)Cl
InChI
InChI=1S/C4H7ClO3/c1-7-3(5)4(6)8-2/h3H,1-2H3
InChIKey
DCOWHZYIFORKFC-UHFFFAOYSA-N
Compound name
methyl 2-chloro-2-methoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

138.00838 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.015656 121.8
[M+Na]+ 160.997598 130.5
[M-H]- 137.001104 122.6
[M+NH4]+ 156.042203 144.5
[M+K]+ 176.971538 130.4
[M+H-H2O]+ 121.005640 118.7
[M+HCOO]- 183.006581 140.8
[M+CH3COO]- 197.022231 171.1
[M+Na-2H]- 158.983046 127.3
[M]+ 138.00783142 126.5
[M]- 138.00892858 126.5
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