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]+ 237.02886 136.5
[M+Na]+ 259.01080 148.1
[M-H]- 235.01430 141.1
[M+NH4]+ 254.05540 149.5
[M+K]+ 274.98474 144.3
[M+H-H2O]+ 219.01884 128.2
[M+HCOO]- 281.01978 151.4
[M+CH3COO]- 295.03543 191.8
[M+Na-2H]- 256.99625 143.1
[M]+ 236.02103 138.7
[M]- 236.02213 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.