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 132.8
[M+Na]+ 207.01833 143.5
[M-H]- 183.02183 141.1
[M+NH4]+ 202.06293 147.6
[M+K]+ 222.99227 141.3
[M+H-H2O]+ 167.02637 126.8
[M+HCOO]- 229.02731 152.7
[M+CH3COO]- 243.04296 182.2
[M+Na-2H]- 205.00378 141.3
[M]+ 184.02856 139.4
[M]- 184.02966 139.4
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