CID 12962652

82060-93-3

Structural Information

Molecular Formula
C9H7ClO2
SMILES
C1COC2=C1C=C(C=C2C=O)Cl
InChI
InChI=1S/C9H7ClO2/c10-8-3-6-1-2-12-9(6)7(4-8)5-11/h3-5H,1-2H2
InChIKey
ILSYFMFNLHYKGZ-UHFFFAOYSA-N
Compound name
5-chloro-2,3-dihydro-1-benzofuran-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

182.01346 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.02074 133.7
[M+Na]+ 205.00268 144.5
[M-H]- 181.00618 139.3
[M+NH4]+ 200.04728 156.5
[M+K]+ 220.97662 141.6
[M+H-H2O]+ 165.01072 129.8
[M+HCOO]- 227.01166 152.6
[M+CH3COO]- 241.02731 178.3
[M+Na-2H]- 202.98813 140.6
[M]+ 182.01291 137.2
[M]- 182.01401 137.2
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