CID 592964

76429-69-1

Structural Information

Molecular Formula
C8H7ClO
SMILES
C1COC2=C1C=C(C=C2)Cl
InChI
InChI=1S/C8H7ClO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5H,3-4H2
InChIKey
PEYYQHYMRUDUOH-UHFFFAOYSA-N
Compound name
5-chloro-2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

154.01854 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.02582 127.3
[M+Na]+ 177.00776 137.4
[M-H]- 153.01126 132.6
[M+NH4]+ 172.05236 151.0
[M+K]+ 192.98170 134.8
[M+H-H2O]+ 137.01580 123.3
[M+HCOO]- 199.01674 146.1
[M+CH3COO]- 213.03239 142.5
[M+Na-2H]- 174.99321 135.4
[M]+ 154.01799 129.3
[M]- 154.01909 129.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe