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

102
Patents

182.01346 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.020736 134.4
[M+Na]+ 205.002678 144.0
[M-H]- 181.006184 139.7
[M+NH4]+ 200.047283 156.8
[M+K]+ 220.976618 141.5
[M+H-H2O]+ 165.010720 130.3
[M+HCOO]- 227.011661 152.3
[M+CH3COO]- 241.027311 178.0
[M+Na-2H]- 202.988126 140.8
[M]+ 182.01291142 136.9
[M]- 182.01400858 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

No literature data available for this compound.

Patent stripe

patents stripe