CID 560709

2-(2-chlorophenyl)oxirane

Structural Information

Molecular Formula
C8H7ClO
SMILES
C1C(O1)C2=CC=CC=C2Cl
InChI
InChI=1S/C8H7ClO/c9-7-4-2-1-3-6(7)8-5-10-8/h1-4,8H,5H2
InChIKey
RTPJBMWUVSTBPC-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

291
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 124.7
[M+Na]+ 177.00776 135.9
[M-H]- 153.01126 133.1
[M+NH4]+ 172.05236 140.7
[M+K]+ 192.98170 133.6
[M+H-H2O]+ 137.01580 119.0
[M+HCOO]- 199.01674 144.8
[M+CH3COO]- 213.03239 139.6
[M+Na-2H]- 174.99321 133.8
[M]+ 154.01799 129.5
[M]- 154.01909 129.5
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