CID 2776153

2,3-dihydro-1-benzofuran-5-carbonyl chloride

Structural Information

Molecular Formula
C9H7ClO2
SMILES
C1COC2=C1C=C(C=C2)C(=O)Cl
InChI
InChI=1S/C9H7ClO2/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2
InChIKey
YQCKMNRXXRJGIZ-UHFFFAOYSA-N
Compound name
2,3-dihydro-1-benzofuran-5-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

182.01346 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.02074 132.7
[M+Na]+ 205.00268 146.1
[M+NH4]+ 200.04728 142.5
[M+K]+ 220.97662 141.4
[M-H]- 181.00618 136.1
[M+Na-2H]- 202.98813 138.3
[M]+ 182.01291 135.8
[M]- 182.01401 135.8
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