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 152.0
[M+Na]+ 394.91137 164.7
[M-H]- 370.91487 159.2
[M+NH4]+ 389.95597 167.6
[M+K]+ 410.88531 148.6
[M+H-H2O]+ 354.91941 158.4
[M+HCOO]- 416.92035 168.2
[M+CH3COO]- 430.93600 215.7
[M+Na-2H]- 392.89682 157.5
[M]+ 371.92160 187.7
[M]- 371.92270 187.7
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.