CID 11959059

2-bromo-4-methyl-5-nitroaniline

Structural Information

Molecular Formula
C7H7BrN2O2
SMILES
CC1=CC(=C(C=C1[N+](=O)[O-])N)Br
InChI
InChI=1S/C7H7BrN2O2/c1-4-2-5(8)6(9)3-7(4)10(11)12/h2-3H,9H2,1H3
InChIKey
MZYLMACPWDPBQN-UHFFFAOYSA-N
Compound name
2-bromo-4-methyl-5-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

229.96909 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.97637 142.1
[M+Na]+ 252.95831 145.8
[M+NH4]+ 248.00291 146.9
[M+K]+ 268.93225 148.4
[M-H]- 228.96181 144.3
[M+Na-2H]- 250.94376 145.1
[M]+ 229.96854 142.0
[M]- 229.96964 142.0
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

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