CID 86720248

2-(4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl)-2-methyloxirane

Structural Information

Molecular Formula
C16H12ClF3O2
SMILES
CC1(CO1)C2=C(C=C(C=C2)OC3=CC=C(C=C3)Cl)C(F)(F)F
InChI
InChI=1S/C16H12ClF3O2/c1-15(9-21-15)13-7-6-12(8-14(13)16(18,19)20)22-11-4-2-10(17)3-5-11/h2-8H,9H2,1H3
InChIKey
NHGFPOQFINKDJB-UHFFFAOYSA-N
Compound name
2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-2-methyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

328.0478 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.05508 160.4
[M+Na]+ 351.03702 172.4
[M-H]- 327.04052 168.1
[M+NH4]+ 346.08162 171.5
[M+K]+ 367.01096 168.7
[M+H-H2O]+ 311.04506 151.4
[M+HCOO]- 373.04600 174.8
[M+CH3COO]- 387.06165 207.3
[M+Na-2H]- 349.02247 166.5
[M]+ 328.04725 164.7
[M]- 328.04835 164.7
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

patents stripe