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

14
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 136.9
[M+Na]+ 238.97904 148.9
[M-H]- 214.98254 142.9
[M+NH4]+ 234.02364 158.4
[M+K]+ 254.95298 137.4
[M+H-H2O]+ 198.98708 135.9
[M+HCOO]- 260.98802 160.1
[M+CH3COO]- 275.00367 189.4
[M+Na-2H]- 236.96449 143.2
[M]+ 215.98927 153.4
[M]- 215.99037 153.4
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