CID 3085880

72918-29-7

Structural Information

Molecular Formula
C10H5Br3N2O2
SMILES
C1=C(C2=C(C(=C1Br)O)C(=N)C(=C(C2=O)Br)Br)N
InChI
InChI=1S/C10H5Br3N2O2/c11-2-1-3(14)4-5(9(2)16)8(15)6(12)7(13)10(4)17/h1,15-16H,14H2
InChIKey
WTYRWWBFBZQKRB-UHFFFAOYSA-N
Compound name
8-amino-2,3,6-tribromo-5-hydroxy-4-iminonaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.79013 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.79741 150.6
[M+Na]+ 444.77935 158.0
[M-H]- 420.78285 155.3
[M+NH4]+ 439.82395 163.3
[M+K]+ 460.75329 141.3
[M+H-H2O]+ 404.78739 162.9
[M+HCOO]- 466.78833 159.3
[M+CH3COO]- 480.80398 229.1
[M+Na-2H]- 442.76480 153.6
[M]+ 421.78958 188.8
[M]- 421.79068 188.8
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