CID 12353544

2,5-dibromoterephthalaldehyde

Structural Information

Molecular Formula
C8H4Br2O2
SMILES
C1=C(C(=CC(=C1Br)C=O)Br)C=O
InChI
InChI=1S/C8H4Br2O2/c9-7-1-5(3-11)8(10)2-6(7)4-12/h1-4H
InChIKey
VSUKSWCSOBXUFG-UHFFFAOYSA-N
Compound name
2,5-dibromoterephthalaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

183
Patents

289.8578 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.86508 133.6
[M+Na]+ 312.84702 146.1
[M-H]- 288.85052 140.9
[M+NH4]+ 307.89162 153.4
[M+K]+ 328.82096 130.7
[M+H-H2O]+ 272.85506 141.9
[M+HCOO]- 334.85600 151.0
[M+CH3COO]- 348.87165 202.0
[M+Na-2H]- 310.83247 141.2
[M]+ 289.85725 169.1
[M]- 289.85835 169.1
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