CID 19084

Allyl pentabromophenyl ether

Structural Information

Molecular Formula
C9H5Br5O
SMILES
C=CCOC1=C(C(=C(C(=C1Br)Br)Br)Br)Br
InChI
InChI=1S/C9H5Br5O/c1-2-3-15-9-7(13)5(11)4(10)6(12)8(9)14/h2H,1,3H2
InChIKey
VCNJVIWFSMCZPE-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentabromo-6-prop-2-enoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

787
Patents

523.62573 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.63301 163.8
[M+Na]+ 546.61495 171.3
[M-H]- 522.61845 167.4
[M+NH4]+ 541.65955 171.3
[M+K]+ 562.58889 159.7
[M+H-H2O]+ 506.62299 181.0
[M+HCOO]- 568.62393 167.4
[M+CH3COO]- 582.63958 246.1
[M+Na-2H]- 544.60040 164.0
[M]+ 523.62518 194.5
[M]- 523.62628 194.5
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