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

63
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 133.2
[M+Na]+ 224.96340 145.1
[M-H]- 200.96690 138.0
[M+NH4]+ 220.00800 154.5
[M+K]+ 240.93734 132.9
[M+H-H2O]+ 184.97144 132.5
[M+HCOO]- 246.97238 155.2
[M+CH3COO]- 260.98803 184.3
[M+Na-2H]- 222.94885 139.4
[M]+ 201.97363 147.6
[M]- 201.97473 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