CID 78078

Bromanilic acid

Structural Information

Molecular Formula
C6H2Br2O4
SMILES
C1(=C(C(=O)C(=C(C1=O)Br)O)Br)O
InChI
InChI=1S/C6H2Br2O4/c7-1-3(9)5(11)2(8)6(12)4(1)10/h9,12H
InChIKey
GMZWPTALVQRAFV-UHFFFAOYSA-N
Compound name
2,5-dibromo-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

69
Patents

295.83197 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.83925 132.4
[M+Na]+ 318.82119 144.7
[M-H]- 294.82469 137.8
[M+NH4]+ 313.86579 150.8
[M+K]+ 334.79513 129.0
[M+H-H2O]+ 278.82923 140.5
[M+HCOO]- 340.83017 146.9
[M+CH3COO]- 354.84582 199.0
[M+Na-2H]- 316.80664 138.0
[M]+ 295.83142 165.8
[M]- 295.83252 165.8
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