CID 9899028

2-(3-chlorophenoxymethyl)oxirane

Structural Information

Molecular Formula
C9H9ClO2
SMILES
C1C(O1)COC2=CC(=CC=C2)Cl
InChI
InChI=1S/C9H9ClO2/c10-7-2-1-3-8(4-7)11-5-9-6-12-9/h1-4,9H,5-6H2
InChIKey
QMWAQHTYWDAKBC-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenoxy)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

184.02911 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03639 135.3
[M+Na]+ 207.01833 151.3
[M+NH4]+ 202.06293 145.5
[M+K]+ 222.99227 145.6
[M-H]- 183.02183 147.1
[M+Na-2H]- 205.00378 146.2
[M]+ 184.02856 142.5
[M]- 184.02966 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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