CID 165698565

2120345-20-0

Structural Information

Molecular Formula
C9H10ClNO3
SMILES
CN1C=C(C=C1C(=O)OC)C(=O)CCl
InChI
InChI=1S/C9H10ClNO3/c1-11-5-6(8(12)4-10)3-7(11)9(13)14-2/h3,5H,4H2,1-2H3
InChIKey
VEPZVXWZFNUUTG-UHFFFAOYSA-N
Compound name
methyl 4-(2-chloroacetyl)-1-methylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.03493 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.04221 143.2
[M+Na]+ 238.02415 154.4
[M+NH4]+ 233.06875 150.0
[M+K]+ 253.99809 151.4
[M-H]- 214.02765 142.4
[M+Na-2H]- 236.00960 146.9
[M]+ 215.03438 144.5
[M]- 215.03548 144.5
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

No patent data available for this compound.