CID 11030874

(2-amino-5-bromophenyl)methanol

Structural Information

Molecular Formula
C7H8BrNO
SMILES
C1=CC(=C(C=C1Br)CO)N
InChI
InChI=1S/C7H8BrNO/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4,9H2
InChIKey
GDCWZYRWKSOYGQ-UHFFFAOYSA-N
Compound name
(2-amino-5-bromophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

274
Patents

200.97893 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.98621 133.7
[M+Na]+ 223.96815 145.3
[M-H]- 199.97165 138.6
[M+NH4]+ 219.01275 155.5
[M+K]+ 239.94209 133.7
[M+H-H2O]+ 183.97619 133.7
[M+HCOO]- 245.97713 155.2
[M+CH3COO]- 259.99278 181.7
[M+Na-2H]- 221.95360 141.0
[M]+ 200.97838 149.9
[M]- 200.97948 149.9
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