CID 53470866

(2r)-2-[(5-bromo-2,3-difluorophenoxy)methyl]oxirane

Structural Information

Molecular Formula
C9H7BrF2O2
SMILES
C1[C@@H](O1)COC2=C(C(=CC(=C2)Br)F)F
InChI
InChI=1S/C9H7BrF2O2/c10-5-1-7(11)9(12)8(2-5)14-4-6-3-13-6/h1-2,6H,3-4H2/t6-/m1/s1
InChIKey
ZYUZXUFBGPSCBM-ZCFIWIBFSA-N
Compound name
(2R)-2-[(5-bromo-2,3-difluorophenoxy)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

263.95975 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.967026 145.4
[M+Na]+ 286.948968 160.2
[M-H]- 262.952474 154.2
[M+NH4]+ 281.993573 160.5
[M+K]+ 302.922908 149.8
[M+H-H2O]+ 246.957010 142.9
[M+HCOO]- 308.957951 165.3
[M+CH3COO]- 322.973601 195.3
[M+Na-2H]- 284.934416 152.4
[M]+ 263.95920142 166.3
[M]- 263.96029858 166.3
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