CID 76767

Allyl 2,4,6-tribromophenyl ether

Structural Information

Molecular Formula
C9H7Br3O
SMILES
C=CCOC1=C(C=C(C=C1Br)Br)Br
InChI
InChI=1S/C9H7Br3O/c1-2-3-13-9-7(11)4-6(10)5-8(9)12/h2,4-5H,1,3H2
InChIKey
RZLLIOPGUFOWOD-UHFFFAOYSA-N
Compound name
1,3,5-tribromo-2-prop-2-enoxybenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

198
Patents

367.8047 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.81198 139.8
[M+Na]+ 390.79392 148.5
[M-H]- 366.79742 145.6
[M+NH4]+ 385.83852 154.8
[M+K]+ 406.76786 133.0
[M+H-H2O]+ 350.80196 154.7
[M+HCOO]- 412.80290 150.6
[M+CH3COO]- 426.81855 221.6
[M+Na-2H]- 388.77937 145.2
[M]+ 367.80415 181.4
[M]- 367.80525 181.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe