CID 67062475

1162696-92-5

Structural Information

Molecular Formula
C7H9BrN2O
SMILES
COC1=C(C=CC(=C1N)N)Br
InChI
InChI=1S/C7H9BrN2O/c1-11-7-4(8)2-3-5(9)6(7)10/h2-3H,9-10H2,1H3
InChIKey
DDJZDDOQHVYOJF-UHFFFAOYSA-N
Compound name
4-bromo-3-methoxybenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

215.98982 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.997096 136.9
[M+Na]+ 238.979038 148.9
[M-H]- 214.982544 142.9
[M+NH4]+ 234.023643 158.4
[M+K]+ 254.952978 137.4
[M+H-H2O]+ 198.987080 135.9
[M+HCOO]- 260.988021 160.1
[M+CH3COO]- 275.003671 189.4
[M+Na-2H]- 236.964486 143.2
[M]+ 215.98927142 153.4
[M]- 215.99036858 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