CID 94760

5296-40-2

Structural Information

Molecular Formula
C9H7Br3O2
SMILES
C1C(O1)COC2=C(C=C(C=C2Br)Br)Br
InChI
InChI=1S/C9H7Br3O2/c10-5-1-7(11)9(8(12)2-5)14-4-6-3-13-6/h1-2,6H,3-4H2
InChIKey
NXJGWHGJPITYOJ-UHFFFAOYSA-N
Compound name
2-[(2,4,6-tribromophenoxy)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

414
Patents

383.79962 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.806896 151.4
[M+Na]+ 406.788838 161.0
[M-H]- 382.792344 159.6
[M+NH4]+ 401.833443 162.8
[M+K]+ 422.762778 146.7
[M+H-H2O]+ 366.796880 165.1
[M+HCOO]- 428.797821 161.8
[M+CH3COO]- 442.813471 223.7
[M+Na-2H]- 404.774286 156.5
[M]+ 383.79907142 193.3
[M]- 383.80016858 193.3
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