CID 135449602

303105-17-1

Structural Information

Molecular Formula
C11H10Br2N4O
SMILES
CC1=NN=C(N1/N=C/C2=C(C(=CC(=C2)Br)Br)O)C
InChI
InChI=1S/C11H10Br2N4O/c1-6-15-16-7(2)17(6)14-5-8-3-9(12)4-10(13)11(8)18/h3-5,18H,1-2H3/b14-5+
InChIKey
NZAFVHVKGSZJDY-LHHJGKSTSA-N
Compound name
2,4-dibromo-6-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

371.92215 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.92943 171.1
[M+Na]+ 394.91137 166.3
[M+NH4]+ 389.95597 171.7
[M+K]+ 410.88531 173.0
[M-H]- 370.91487 171.6
[M+Na-2H]- 392.89682 171.6
[M]+ 371.92160 169.4
[M]- 371.92270 169.4
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

No patent data available for this compound.