CID 22556501

2-chloro-4h-furo[3,2-b]pyrrole-5-carboxylic acid

Structural Information

Molecular Formula
C7H4ClNO3
SMILES
C1=C(NC2=C1OC(=C2)Cl)C(=O)O
InChI
InChI=1S/C7H4ClNO3/c8-6-2-3-5(12-6)1-4(9-3)7(10)11/h1-2,9H,(H,10,11)
InChIKey
AFEBFEJAYWJLIR-UHFFFAOYSA-N
Compound name
2-chloro-4H-furo[3,2-b]pyrrole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

55
Patents

184.98798 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.99526 132.9
[M+Na]+ 207.97720 145.0
[M-H]- 183.98070 135.5
[M+NH4]+ 203.02180 154.5
[M+K]+ 223.95114 141.7
[M+H-H2O]+ 167.98524 129.2
[M+HCOO]- 229.98618 150.8
[M+CH3COO]- 244.00183 172.7
[M+Na-2H]- 205.96265 138.0
[M]+ 184.98743 136.9
[M]- 184.98853 136.9
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

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