CID 21938204

4-amino-3-bromo-5-nitroanisole

Structural Information

Molecular Formula
C7H7BrN2O3
SMILES
COC1=CC(=C(C(=C1)Br)N)[N+](=O)[O-]
InChI
InChI=1S/C7H7BrN2O3/c1-13-4-2-5(8)7(9)6(3-4)10(11)12/h2-3H,9H2,1H3
InChIKey
FYCRRMSGEDGSFS-UHFFFAOYSA-N
Compound name
2-bromo-4-methoxy-6-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

245.964 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.97128 142.4
[M+Na]+ 268.95322 153.8
[M-H]- 244.95672 148.7
[M+NH4]+ 263.99782 162.3
[M+K]+ 284.92716 139.3
[M+H-H2O]+ 228.96126 145.6
[M+HCOO]- 290.96220 166.3
[M+CH3COO]- 304.97785 186.3
[M+Na-2H]- 266.93867 150.2
[M]+ 245.96345 160.1
[M]- 245.96455 160.1
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