CID 13303571

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
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

literature stripe

Patent stripe

patents stripe