CID 3040216

51807-89-7

Structural Information

Molecular Formula
C9H8BrN3O2
SMILES
C1=CC(=CC=C1C(C2=NOC(=N2)N)O)Br
InChI
InChI=1S/C9H8BrN3O2/c10-6-3-1-5(2-4-6)7(14)8-12-9(11)15-13-8/h1-4,7,14H,(H2,11,12,13)
InChIKey
MAWXGNUOAOHZCN-UHFFFAOYSA-N
Compound name
(5-amino-1,2,4-oxadiazol-3-yl)-(4-bromophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.97998 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.98726 149.7
[M+Na]+ 291.96920 161.2
[M-H]- 267.97270 156.0
[M+NH4]+ 287.01380 166.4
[M+K]+ 307.94314 150.9
[M+H-H2O]+ 251.97724 147.9
[M+HCOO]- 313.97818 168.9
[M+CH3COO]- 327.99383 191.2
[M+Na-2H]- 289.95465 155.7
[M]+ 268.97943 167.5
[M]- 268.98053 167.5
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

No patent data available for this compound.