CID 162345653

Ns00133695

Structural Information

Molecular Formula
C6H6Br2O2
SMILES
C/C=C/C(=C(/C(=O)O)\Br)/Br
InChI
InChI=1S/C6H6Br2O2/c1-2-3-4(7)5(8)6(9)10/h2-3H,1H3,(H,9,10)/b3-2+,5-4+
InChIKey
YWEQHNAKUANTPP-MQQKCMAXSA-N
Compound name
(2E,4E)-2,3-dibromohexa-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.87344 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.880716 137.6
[M+Na]+ 290.862658 147.4
[M-H]- 266.866164 140.6
[M+NH4]+ 285.907263 156.8
[M+K]+ 306.836598 131.3
[M+H-H2O]+ 250.870700 145.5
[M+HCOO]- 312.871641 150.8
[M+CH3COO]- 326.887291 196.6
[M+Na-2H]- 288.848106 141.8
[M]+ 267.87289142 169.4
[M]- 267.87398858 169.4
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

No patent data available for this compound.