CID 132398482

2-(4-bromophenyl)-2-(difluoromethyl)oxirane

Structural Information

Molecular Formula
C9H7BrF2O
SMILES
C1C(O1)(C2=CC=C(C=C2)Br)C(F)F
InChI
InChI=1S/C9H7BrF2O/c10-7-3-1-6(2-4-7)9(5-13-9)8(11)12/h1-4,8H,5H2
InChIKey
JFJACFFVEKKZKH-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-2-(difluoromethyl)oxirane
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 141.9
[M+Na]+ 270.954048 155.6
[M-H]- 246.957554 150.6
[M+NH4]+ 265.998653 159.0
[M+K]+ 286.927988 146.5
[M+H-H2O]+ 230.962090 140.7
[M+HCOO]- 292.963031 160.7
[M+CH3COO]- 306.978681 191.8
[M+Na-2H]- 268.939496 150.3
[M]+ 247.96428142 160.9
[M]- 247.96537858 160.9
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.