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]+ 248.97211 134.1
[M+Na]+ 270.95405 146.0
[M-H]- 246.95755 142.1
[M+NH4]+ 265.99865 150.1
[M+K]+ 286.92799 139.3
[M+H-H2O]+ 230.96209 129.6
[M+HCOO]- 292.96303 152.4
[M+CH3COO]- 306.97868 191.8
[M+Na-2H]- 268.93950 142.9
[M]+ 247.96428 158.6
[M]- 247.96538 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.