CID 12440350

68224-01-1

Structural Information

Molecular Formula
C9H8BrClO2
SMILES
C1C(O1)COC2=C(C=C(C=C2)Cl)Br
InChI
InChI=1S/C9H8BrClO2/c10-8-3-6(11)1-2-9(8)13-5-7-4-12-7/h1-3,7H,4-5H2
InChIKey
UYDDEAYCMGCKPO-UHFFFAOYSA-N
Compound name
2-[(2-bromo-4-chlorophenoxy)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.9396 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.94688 144.0
[M+Na]+ 284.92882 158.7
[M-H]- 260.93232 154.8
[M+NH4]+ 279.97342 160.0
[M+K]+ 300.90276 147.7
[M+H-H2O]+ 244.93686 144.0
[M+HCOO]- 306.93780 161.6
[M+CH3COO]- 320.95345 192.8
[M+Na-2H]- 282.91427 152.6
[M]+ 261.93905 168.3
[M]- 261.94015 168.3
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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