CID 58417724

2225141-52-4

Structural Information

Molecular Formula

C₇H₇BrF₃N₃

SMILES

C1CN2C(=NC(=C2Br)C(F)(F)F)CN1

InChI

InChI=1S/C7H7BrF3N3/c8-6-5(7(9,10)11)13-4-3-12-1-2-14(4)6/h12H,1-3H2

InChIKey

NCSCRMGIECHNRL-UHFFFAOYSA-N

Compound name

3-bromo-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 268.97754 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	269.98482	152.8
[M+Na]+	291.96676	165.6
[M-H]-	267.97026	151.5
[M+NH4]+	287.01136	171.5
[M+K]+	307.94070	153.4
[M+H-H2O]+	251.97480	150.2
[M+HCOO]-	313.97574	163.9
[M+CH3COO]-	327.99139	189.3
[M+Na-2H]-	289.95221	158.1
[M]+	268.97699	164.3
[M]-	268.97809	164.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe