CID 12365574

2-chloro-5-ethenylfuran

Structural Information

Molecular Formula
C6H5ClO
SMILES
C=CC1=CC=C(O1)Cl
InChI
InChI=1S/C6H5ClO/c1-2-5-3-4-6(7)8-5/h2-4H,1H2
InChIKey
MMNSGSQEIZGYNA-UHFFFAOYSA-N
Compound name
2-chloro-5-ethenylfuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

128.0029 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.010176 120.9
[M+Na]+ 150.992118 131.5
[M-H]- 126.995624 125.5
[M+NH4]+ 146.036723 144.6
[M+K]+ 166.966058 129.4
[M+H-H2O]+ 111.000160 117.3
[M+HCOO]- 173.001101 141.9
[M+CH3COO]- 187.016751 168.5
[M+Na-2H]- 148.977566 128.2
[M]+ 128.00235142 123.8
[M]- 128.00344858 123.8
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