CID 62740

2,4-dibromophenyl glycidyl ether

Structural Information

Molecular Formula
C9H8Br2O2
SMILES
C1C(O1)COC2=C(C=C(C=C2)Br)Br
InChI
InChI=1S/C9H8Br2O2/c10-6-1-2-9(8(11)3-6)13-5-7-4-12-7/h1-3,7H,4-5H2
InChIKey
NFWLWLQSZIJYFR-UHFFFAOYSA-N
Compound name
2-[(2,4-dibromophenoxy)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

95
Patents

305.8891 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.896376 146.7
[M+Na]+ 328.878318 159.4
[M-H]- 304.881824 157.2
[M+NH4]+ 323.922923 161.3
[M+K]+ 344.852258 145.5
[M+H-H2O]+ 288.886360 153.8
[M+HCOO]- 350.887301 163.3
[M+CH3COO]- 364.902951 205.8
[M+Na-2H]- 326.863766 154.6
[M]+ 305.88855142 183.1
[M]- 305.88964858 183.1
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