CID 16760346

934358-00-6

Structural Information

Molecular Formula
C9H4Br4O2
SMILES
C1=C(C(=C(C(=C1Br)Br)Br)Br)/C=C/C(=O)O
InChI
InChI=1S/C9H4Br4O2/c10-5-3-4(1-2-6(14)15)7(11)9(13)8(5)12/h1-3H,(H,14,15)/b2-1+
InChIKey
SVJQCVOKYJWUBC-OWOJBTEDSA-N
Compound name
(E)-3-(2,3,4,5-tetrabromophenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

970
Patents

459.6945 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.70178 151.7
[M+Na]+ 482.68372 157.9
[M-H]- 458.68722 155.3
[M+NH4]+ 477.72832 161.5
[M+K]+ 498.65766 144.2
[M+H-H2O]+ 442.69176 169.3
[M+HCOO]- 504.69270 156.8
[M+CH3COO]- 518.70835 236.2
[M+Na-2H]- 480.66917 153.4
[M]+ 459.69395 189.9
[M]- 459.69505 189.9
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