CID 16226824

874623-46-8

Structural Information

Molecular Formula

C₁₁H₁₂FN₃

SMILES

CN1C=CN=C1C(C2=CC(=CC=C2)F)N

InChI

InChI=1S/C11H12FN3/c1-15-6-5-14-11(15)10(13)8-3-2-4-9(12)7-8/h2-7,10H,13H2,1H3

InChIKey

MJRFADGYJSKDSG-UHFFFAOYSA-N

Compound name

(3-fluorophenyl)-(1-methylimidazol-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 205.10153 Da
Monoisotopic Mass: 0.7
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]+	206.108806	143.2
[M+Na]+	228.090748	151.9
[M-H]-	204.094254	146.2
[M+NH4]+	223.135353	160.9
[M+K]+	244.064688	148.2
[M+H-H2O]+	188.098790	134.2
[M+HCOO]-	250.099731	165.2
[M+CH3COO]-	264.115381	188.2
[M+Na-2H]-	226.076196	146.6
[M]+	205.10098142	140.5
[M]-	205.10207858	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe