CID 18782691

3-bromo-4-methoxy-n-methylaniline hydrochloride

Structural Information

Molecular Formula
C8H10BrNO
SMILES
CNC1=CC(=C(C=C1)OC)Br
InChI
InChI=1S/C8H10BrNO/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5,10H,1-2H3
InChIKey
BZYHQRMBFOGPCJ-UHFFFAOYSA-N
Compound name
3-bromo-4-methoxy-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

214.99458 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.00186 136.3
[M+Na]+ 237.98380 148.1
[M-H]- 213.98730 143.0
[M+NH4]+ 233.02840 158.6
[M+K]+ 253.95774 137.5
[M+H-H2O]+ 197.99184 136.1
[M+HCOO]- 259.99278 159.7
[M+CH3COO]- 274.00843 187.6
[M+Na-2H]- 235.96925 144.8
[M]+ 214.99403 155.7
[M]- 214.99513 155.7
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

patents stripe