CID 38949

Benzofuran-2-carbonyl chloride

Structural Information

Molecular Formula
C9H5ClO2
SMILES
C1=CC=C2C(=C1)C=C(O2)C(=O)Cl
InChI
InChI=1S/C9H5ClO2/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H
InChIKey
ZJDRDTZQVOCKPI-UHFFFAOYSA-N
Compound name
1-benzofuran-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

535
Patents

179.9978 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.00508 130.2
[M+Na]+ 202.98702 145.5
[M+NH4]+ 198.03162 140.2
[M+K]+ 218.96096 140.3
[M-H]- 178.99052 134.1
[M+Na-2H]- 200.97247 137.6
[M]+ 179.99725 133.9
[M]- 179.99835 133.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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