CID 10662

Dibromsalicil

Structural Information

Molecular Formula
C14H8Br2O4
SMILES
C1=CC(=C(C=C1Br)C(=O)C(=O)C2=C(C=CC(=C2)Br)O)O
InChI
InChI=1S/C14H8Br2O4/c15-7-1-3-11(17)9(5-7)13(19)14(20)10-6-8(16)2-4-12(10)18/h1-6,17-18H
InChIKey
AAOYLOCWJSLLJU-UHFFFAOYSA-N
Compound name
1,2-bis(5-bromo-2-hydroxyphenyl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

58
Patents

397.87894 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.88622 161.8
[M+Na]+ 420.86816 171.1
[M-H]- 396.87166 168.8
[M+NH4]+ 415.91276 176.1
[M+K]+ 436.84210 155.7
[M+H-H2O]+ 380.87620 168.7
[M+HCOO]- 442.87714 174.6
[M+CH3COO]- 456.89279 214.2
[M+Na-2H]- 418.85361 164.6
[M]+ 397.87839 195.3
[M]- 397.87949 195.3
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