CID 21612159

3-(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)propanoyl chloride

Structural Information

Molecular Formula
C7H6ClNO3
SMILES
C1=CC(=O)N(C1=O)CCC(=O)Cl
InChI
InChI=1S/C7H6ClNO3/c8-5(10)3-4-9-6(11)1-2-7(9)12/h1-2H,3-4H2
InChIKey
JSKXOOWYYVFZPG-UHFFFAOYSA-N
Compound name
3-(2,5-dioxopyrrol-1-yl)propanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

187.00362 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.01090 133.9
[M+Na]+ 209.99284 144.1
[M-H]- 185.99634 136.6
[M+NH4]+ 205.03744 155.0
[M+K]+ 225.96678 141.2
[M+H-H2O]+ 170.00088 129.0
[M+HCOO]- 232.00182 152.7
[M+CH3COO]- 246.01747 178.8
[M+Na-2H]- 207.97829 136.9
[M]+ 187.00307 137.0
[M]- 187.00417 137.0
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