CID 50879058

3-bromo-5-methoxybenzene-1,2-diamine

Structural Information

Molecular Formula
C7H9BrN2O
SMILES
COC1=CC(=C(C(=C1)Br)N)N
InChI
InChI=1S/C7H9BrN2O/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3H,9-10H2,1H3
InChIKey
XUYKLQKZGOEMLY-UHFFFAOYSA-N
Compound name
3-bromo-5-methoxybenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

215.98982 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.99710 138.2
[M+Na]+ 238.97904 140.7
[M+NH4]+ 234.02364 143.0
[M+K]+ 254.95298 141.3
[M-H]- 214.98254 139.7
[M+Na-2H]- 236.96449 141.4
[M]+ 215.98927 137.7
[M]- 215.99037 137.7
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