CID 16228773

929972-67-8

Structural Information

Molecular Formula
C6H9F2N3
SMILES
CNCC1=NC=CN1C(F)F
InChI
InChI=1S/C6H9F2N3/c1-9-4-5-10-2-3-11(5)6(7)8/h2-3,6,9H,4H2,1H3
InChIKey
PCACBZDNEUJGCO-UHFFFAOYSA-N
Compound name
1-[1-(difluoromethyl)imidazol-2-yl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.07645 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.08373 129.4
[M+Na]+ 184.06567 137.8
[M-H]- 160.06917 127.9
[M+NH4]+ 179.11027 149.0
[M+K]+ 200.03961 136.3
[M+H-H2O]+ 144.07371 120.4
[M+HCOO]- 206.07465 150.9
[M+CH3COO]- 220.09030 180.0
[M+Na-2H]- 182.05112 134.1
[M]+ 161.07590 126.6
[M]- 161.07700 126.6
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.