CID 75537158

5-bromo-4-chloro-2-methoxyaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

234.93996 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.94724 137.6
[M+Na]+ 257.92918 151.6
[M-H]- 233.93268 144.2
[M+NH4]+ 252.97378 160.0
[M+K]+ 273.90312 138.8
[M+H-H2O]+ 217.93722 138.6
[M+HCOO]- 279.93816 156.3
[M+CH3COO]- 293.95381 188.8
[M+Na-2H]- 255.91463 144.5
[M]+ 234.93941 157.8
[M]- 234.94051 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