CID 163342300

2-(3-bromophenyl)-2-(trifluoromethyl)oxetane

Structural Information

Molecular Formula
C10H8BrF3O
SMILES
C1COC1(C2=CC(=CC=C2)Br)C(F)(F)F
InChI
InChI=1S/C10H8BrF3O/c11-8-3-1-2-7(6-8)9(4-5-15-9)10(12,13)14/h1-3,6H,4-5H2
InChIKey
HZBOSEFYLJPMFF-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)-2-(trifluoromethyl)oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.97107 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.97835 145.3
[M+Na]+ 302.96029 156.4
[M-H]- 278.96379 151.8
[M+NH4]+ 298.00489 159.9
[M+K]+ 318.93423 149.4
[M+H-H2O]+ 262.96833 140.0
[M+HCOO]- 324.96927 160.8
[M+CH3COO]- 338.98492 195.8
[M+Na-2H]- 300.94574 153.9
[M]+ 279.97052 168.0
[M]- 279.97162 168.0
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.