CID 71969

Romifidine

Structural Information

Molecular Formula

C₉H₉BrFN₃

SMILES

C1CN=C(N1)NC2=C(C=CC=C2Br)F

InChI

InChI=1S/C9H9BrFN3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)

InChIKey

KDPNLRQZHDJRFU-UHFFFAOYSA-N

Compound name

N-(2-bromo-6-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 139
References: 870
Patents: 256.9964 Da
Monoisotopic Mass: 1.4
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]+	258.00368	147.6
[M+Na]+	279.98562	158.9
[M-H]-	255.98912	152.0
[M+NH4]+	275.03022	166.5
[M+K]+	295.95956	146.3
[M+H-H2O]+	239.99366	145.2
[M+HCOO]-	301.99460	166.6
[M+CH3COO]-	316.01025	161.2
[M+Na-2H]-	277.97107	153.6
[M]+	256.99585	161.3
[M]-	256.99695	161.3

Literature stripe

literature stripe

Patent stripe

patents stripe