CID 3084670

2,4,6-tribromophenyl methacrylate

Structural Information

Molecular Formula
C10H7Br3O2
SMILES
CC(=C)C(=O)OC1=C(C=C(C=C1Br)Br)Br
InChI
InChI=1S/C10H7Br3O2/c1-5(2)10(14)15-9-7(12)3-6(11)4-8(9)13/h3-4H,1H2,2H3
InChIKey
HAYWJKBZHDIUPU-UHFFFAOYSA-N
Compound name
(2,4,6-tribromophenyl) 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1380
Patents

395.79962 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.80690 146.5
[M+Na]+ 418.78884 154.5
[M-H]- 394.79234 152.1
[M+NH4]+ 413.83344 160.6
[M+K]+ 434.76278 139.2
[M+H-H2O]+ 378.79688 161.0
[M+HCOO]- 440.79782 156.0
[M+CH3COO]- 454.81347 224.3
[M+Na-2H]- 416.77429 149.9
[M]+ 395.79907 187.8
[M]- 395.80017 187.8
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