CID 135566326

4-(1,3-benzoxazol-2-yl)-2,6-dibromophenol

Structural Information

Molecular Formula
C13H7Br2NO2
SMILES
C1=CC=C2C(=C1)N=C(O2)C3=CC(=C(C(=C3)Br)O)Br
InChI
InChI=1S/C13H7Br2NO2/c14-8-5-7(6-9(15)12(8)17)13-16-10-3-1-2-4-11(10)18-13/h1-6,17H
InChIKey
DMOJYCAJRLAKQW-UHFFFAOYSA-N
Compound name
4-(1,3-benzoxazol-2-yl)-2,6-dibromophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

366.88434 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.89162 158.0
[M+Na]+ 389.87356 170.8
[M-H]- 365.87706 167.3
[M+NH4]+ 384.91816 175.0
[M+K]+ 405.84750 156.8
[M+H-H2O]+ 349.88160 166.3
[M+HCOO]- 411.88254 173.7
[M+CH3COO]- 425.89819 172.2
[M+Na-2H]- 387.85901 165.1
[M]+ 366.88379 194.6
[M]- 366.88489 194.6
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