CID 120128

Monoethyl tetrabromoterephthalate

Structural Information

Molecular Formula
C10H6Br4O4
SMILES
CCOC(=O)C1=C(C(=C(C(=C1Br)Br)C(=O)O)Br)Br
InChI
InChI=1S/C10H6Br4O4/c1-2-18-10(17)4-7(13)5(11)3(9(15)16)6(12)8(4)14/h2H2,1H3,(H,15,16)
InChIKey
OMUHVEKJVPWWEH-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrabromo-4-ethoxycarbonylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

505.69995 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.70723 162.4
[M+Na]+ 528.68917 157.3
[M+NH4]+ 523.73377 163.1
[M+K]+ 544.66311 163.7
[M-H]- 504.69267 164.1
[M+Na-2H]- 526.67462 163.3
[M]+ 505.69940 162.6
[M]- 505.70050 162.6
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