CID 9625883

303092-69-5

Structural Information

Molecular Formula
C9H9BrN4S
SMILES
CC1=NN=C(N1/N=C/C2=CC=C(S2)Br)C
InChI
InChI=1S/C9H9BrN4S/c1-6-12-13-7(2)14(6)11-5-8-3-4-9(10)15-8/h3-5H,1-2H3/b11-5+
InChIKey
CMBYOQYGMNJEMO-VZUCSPMQSA-N
Compound name
(E)-1-(5-bromothiophen-2-yl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.97314 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.98042 143.9
[M+Na]+ 306.96236 160.8
[M-H]- 282.96586 153.2
[M+NH4]+ 302.00696 165.4
[M+K]+ 322.93630 149.2
[M+H-H2O]+ 266.97040 143.1
[M+HCOO]- 328.97134 165.0
[M+CH3COO]- 342.98699 160.8
[M+Na-2H]- 304.94781 147.9
[M]+ 283.97259 168.3
[M]- 283.97369 168.3
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.