CID 2774619

4-bromo-2,3-dimethyl-6-nitroaniline

Structural Information

Molecular Formula
C8H9BrN2O2
SMILES
CC1=C(C=C(C(=C1C)N)[N+](=O)[O-])Br
InChI
InChI=1S/C8H9BrN2O2/c1-4-5(2)8(10)7(11(12)13)3-6(4)9/h3H,10H2,1-2H3
InChIKey
XRYVCCUUPIZPMI-UHFFFAOYSA-N
Compound name
4-bromo-2,3-dimethyl-6-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

243.98474 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.99202 144.1
[M+Na]+ 266.97396 156.2
[M-H]- 242.97746 150.7
[M+NH4]+ 262.01856 164.5
[M+K]+ 282.94790 141.0
[M+H-H2O]+ 226.98200 147.6
[M+HCOO]- 288.98294 167.5
[M+CH3COO]- 302.99859 188.3
[M+Na-2H]- 264.95941 150.7
[M]+ 243.98419 161.3
[M]- 243.98529 161.3
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