CID 155613

2-(3-chlorophenyl)oxirane

Structural Information

Molecular Formula
C8H7ClO
SMILES
C1C(O1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C8H7ClO/c9-7-3-1-2-6(4-7)8-5-10-8/h1-4,8H,5H2
InChIKey
YVMKRPGFBQGEBF-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

830
Patents

154.01854 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.02582 127.9
[M+Na]+ 177.00776 144.5
[M+NH4]+ 172.05236 138.8
[M+K]+ 192.98170 138.5
[M-H]- 153.01126 140.2
[M+Na-2H]- 174.99321 139.5
[M]+ 154.01799 135.3
[M]- 154.01909 135.3
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

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