CID 2776268

1-benzofuran-5-carbonyl chloride

Structural Information

Molecular Formula
C9H5ClO2
SMILES
C1=CC2=C(C=CO2)C=C1C(=O)Cl
InChI
InChI=1S/C9H5ClO2/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H
InChIKey
HVLITELPDNDMFO-UHFFFAOYSA-N
Compound name
1-benzofuran-5-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

179.9978 Da
Monoisotopic Mass

2.8
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

No literature data available for this compound.

Patent stripe

patents stripe