CID 89269942

2,3-diamino-5-bromophenol

Structural Information

Molecular Formula
C6H7BrN2O
SMILES
C1=C(C=C(C(=C1N)N)O)Br
InChI
InChI=1S/C6H7BrN2O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H,8-9H2
InChIKey
RXBSDOXVGFXJQX-UHFFFAOYSA-N
Compound name
2,3-diamino-5-bromophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

201.97418 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.981456 133.2
[M+Na]+ 224.963398 145.1
[M-H]- 200.966904 138.0
[M+NH4]+ 220.008003 154.5
[M+K]+ 240.937338 132.9
[M+H-H2O]+ 184.971440 132.5
[M+HCOO]- 246.972381 155.2
[M+CH3COO]- 260.988031 184.3
[M+Na-2H]- 222.948846 139.4
[M]+ 201.97363142 147.6
[M]- 201.97472858 147.6
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