CID 79019761

3-bromo-5-methoxy-n-methylaniline hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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

No literature data available for this compound.

Patent stripe

patents stripe