CID 61718869

3-bromo-4-(2-methoxyethoxy)aniline

Structural Information

Molecular Formula
C9H12BrNO2
SMILES
COCCOC1=C(C=C(C=C1)N)Br
InChI
InChI=1S/C9H12BrNO2/c1-12-4-5-13-9-3-2-7(11)6-8(9)10/h2-3,6H,4-5,11H2,1H3
InChIKey
LTGHWSDWKNFALE-UHFFFAOYSA-N
Compound name
3-bromo-4-(2-methoxyethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

245.00514 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.01242 145.8
[M+Na]+ 267.99436 148.6
[M+NH4]+ 263.03896 150.4
[M+K]+ 283.96830 148.5
[M-H]- 243.99786 146.7
[M+Na-2H]- 265.97981 148.9
[M]+ 245.00459 145.2
[M]- 245.00569 145.2
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