CID 59578545

2-amino-4-bromo-3-methylphenol

Structural Information

Molecular Formula
C7H8BrNO
SMILES
CC1=C(C=CC(=C1N)O)Br
InChI
InChI=1S/C7H8BrNO/c1-4-5(8)2-3-6(10)7(4)9/h2-3,10H,9H2,1H3
InChIKey
MTVPLXGSFJYVQA-UHFFFAOYSA-N
Compound name
2-amino-4-bromo-3-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

200.97893 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.98621 133.8
[M+Na]+ 223.96815 137.2
[M+NH4]+ 219.01275 138.9
[M+K]+ 239.94209 137.6
[M-H]- 199.97165 134.8
[M+Na-2H]- 221.95360 137.2
[M]+ 200.97838 133.3
[M]- 200.97948 133.3
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