CID 47003355

2059976-22-4

Structural Information

Molecular Formula
C6H9F2N3
SMILES
C1=CN(C(=N1)CCN)C(F)F
InChI
InChI=1S/C6H9F2N3/c7-6(8)11-4-3-10-5(11)1-2-9/h3-4,6H,1-2,9H2
InChIKey
FFZUAUFDTRLDDW-UHFFFAOYSA-N
Compound name
2-[1-(difluoromethyl)imidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.07645 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.08373 129.6
[M+Na]+ 184.06567 138.1
[M-H]- 160.06917 127.7
[M+NH4]+ 179.11027 149.0
[M+K]+ 200.03961 136.2
[M+H-H2O]+ 144.07371 120.7
[M+HCOO]- 206.07465 150.6
[M+CH3COO]- 220.09030 179.3
[M+Na-2H]- 182.05112 133.3
[M]+ 161.07590 125.9
[M]- 161.07700 125.9
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.