CID 165973265

2-{[2-chloro-5-(trifluoromethyl)phenyl]methyl}oxirane

Structural Information

Molecular Formula
C10H8ClF3O
SMILES
C1C(O1)CC2=C(C=CC(=C2)C(F)(F)F)Cl
InChI
InChI=1S/C10H8ClF3O/c11-9-2-1-7(10(12,13)14)3-6(9)4-8-5-15-8/h1-3,8H,4-5H2
InChIKey
WRPBHMRIMWPFPI-UHFFFAOYSA-N
Compound name
2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.02158 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.028856 136.5
[M+Na]+ 259.010798 148.1
[M-H]- 235.014304 141.1
[M+NH4]+ 254.055403 149.5
[M+K]+ 274.984738 144.3
[M+H-H2O]+ 219.018840 128.2
[M+HCOO]- 281.019781 151.4
[M+CH3COO]- 295.035431 191.8
[M+Na-2H]- 256.996246 143.1
[M]+ 236.02103142 138.7
[M]- 236.02212858 138.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.