CID 137952253

2-(4-bromophenyl)-3,3-difluorooxetane

Structural Information

Molecular Formula
C9H7BrF2O
SMILES
C1C(C(O1)C2=CC=C(C=C2)Br)(F)F
InChI
InChI=1S/C9H7BrF2O/c10-7-3-1-6(2-4-7)8-9(11,12)5-13-8/h1-4,8H,5H2
InChIKey
XNFHKHLIJIPODB-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-3,3-difluorooxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.96483 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.972106 134.1
[M+Na]+ 270.954048 146.0
[M-H]- 246.957554 142.1
[M+NH4]+ 265.998653 150.1
[M+K]+ 286.927988 139.3
[M+H-H2O]+ 230.962090 129.6
[M+HCOO]- 292.963031 152.4
[M+CH3COO]- 306.978681 191.8
[M+Na-2H]- 268.939496 142.9
[M]+ 247.96428142 158.6
[M]- 247.96537858 158.6
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.