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

31
Patents

201.97418 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.98146 134.5
[M+Na]+ 224.96340 136.7
[M+NH4]+ 220.00800 139.1
[M+K]+ 240.93734 137.8
[M-H]- 200.96690 135.6
[M+Na-2H]- 222.94885 137.3
[M]+ 201.97363 133.7
[M]- 201.97473 133.7
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