CID 10800477

4-bromo-5-methoxy-2-nitroaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
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 145.5
[M+Na]+ 268.95322 148.7
[M+NH4]+ 263.99782 149.7
[M+K]+ 284.92716 151.7
[M-H]- 244.95672 147.2
[M+Na-2H]- 266.93867 147.9
[M]+ 245.96345 145.0
[M]- 245.96455 145.0
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