CID 22997667

4-bromo-5-chloro-2-methoxyaniline

Structural Information

Molecular Formula
C7H7BrClNO
SMILES
COC1=CC(=C(C=C1N)Cl)Br
InChI
InChI=1S/C7H7BrClNO/c1-11-7-2-4(8)5(9)3-6(7)10/h2-3H,10H2,1H3
InChIKey
QXHFCTQXBMGLQY-UHFFFAOYSA-N
Compound name
4-bromo-5-chloro-2-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
Patents

234.93996 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.947236 137.6
[M+Na]+ 257.929178 151.6
[M-H]- 233.932684 144.2
[M+NH4]+ 252.973783 160.0
[M+K]+ 273.903118 138.8
[M+H-H2O]+ 217.937220 138.6
[M+HCOO]- 279.938161 156.3
[M+CH3COO]- 293.953811 188.8
[M+Na-2H]- 255.914626 144.5
[M]+ 234.93941142 157.8
[M]- 234.94050858 157.8
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