CID 21320495

(2-amino-3,5-dibromophenyl)methanol

Structural Information

Molecular Formula
C7H7Br2NO
SMILES
C1=C(C=C(C(=C1CO)N)Br)Br
InChI
InChI=1S/C7H7Br2NO/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2,11H,3,10H2
InChIKey
GHUMSGGCKVMYGH-UHFFFAOYSA-N
Compound name
(2-amino-3,5-dibromophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

278.88943 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.89671 137.9
[M+Na]+ 301.87865 148.8
[M-H]- 277.88215 143.4
[M+NH4]+ 296.92325 156.7
[M+K]+ 317.85259 132.3
[M+H-H2O]+ 261.88669 145.0
[M+HCOO]- 323.88763 153.8
[M+CH3COO]- 337.90328 200.7
[M+Na-2H]- 299.86410 144.1
[M]+ 278.88888 169.8
[M]- 278.88998 169.8
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