CID 7015503

4-bromo-3-ethoxyaniline hydrochloride

Structural Information

Molecular Formula
C8H10BrNO
SMILES
CCOC1=C(C=CC(=C1)N)Br
InChI
InChI=1S/C8H10BrNO/c1-2-11-8-5-6(10)3-4-7(8)9/h3-5H,2,10H2,1H3
InChIKey
QQAPQSYFPIYHGU-UHFFFAOYSA-N
Compound name
4-bromo-3-ethoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

214.99458 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.001856 137.3
[M+Na]+ 237.983798 149.1
[M-H]- 213.987304 143.5
[M+NH4]+ 233.028403 159.4
[M+K]+ 253.957738 138.1
[M+H-H2O]+ 197.991840 137.1
[M+HCOO]- 259.992781 160.1
[M+CH3COO]- 274.008431 187.0
[M+Na-2H]- 235.969246 144.7
[M]+ 214.99403142 155.7
[M]- 214.99512858 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