CID 9646971

N-(5-bromo-2-fluorobenzylidene)-3,5-dimethyl-4h-1,2,4-triazol-4-amine

Structural Information

Molecular Formula
C11H10BrFN4
SMILES
CC1=NN=C(N1/N=C/C2=C(C=CC(=C2)Br)F)C
InChI
InChI=1S/C11H10BrFN4/c1-7-15-16-8(2)17(7)14-6-9-5-10(12)3-4-11(9)13/h3-6H,1-2H3/b14-6+
InChIKey
UFNYKMAJCFCLOM-MKMNVTDBSA-N
Compound name
(E)-1-(5-bromo-2-fluorophenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

296.0073 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.01458 155.1
[M+Na]+ 318.99652 169.6
[M-H]- 295.00002 161.7
[M+NH4]+ 314.04112 173.3
[M+K]+ 334.97046 157.3
[M+H-H2O]+ 279.00456 151.9
[M+HCOO]- 341.00550 176.7
[M+CH3COO]- 355.02115 203.3
[M+Na-2H]- 316.98197 160.8
[M]+ 296.00675 175.0
[M]- 296.00785 175.0
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

patents stripe