CID 13012836

2-[(2-chloro-5-methylphenoxy)methyl]oxirane

Structural Information

Molecular Formula
C10H11ClO2
SMILES
CC1=CC(=C(C=C1)Cl)OCC2CO2
InChI
InChI=1S/C10H11ClO2/c1-7-2-3-9(11)10(4-7)13-6-8-5-12-8/h2-4,8H,5-6H2,1H3
InChIKey
DAGBZRAFMXTXNY-UHFFFAOYSA-N
Compound name
2-[(2-chloro-5-methylphenoxy)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

198.04475 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05203 136.9
[M+Na]+ 221.03397 148.1
[M-H]- 197.03747 145.4
[M+NH4]+ 216.07857 151.5
[M+K]+ 237.00791 145.6
[M+H-H2O]+ 181.04201 131.0
[M+HCOO]- 243.04295 156.5
[M+CH3COO]- 257.05860 186.1
[M+Na-2H]- 219.01942 144.2
[M]+ 198.04420 144.3
[M]- 198.04530 144.3
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

patents stripe