CID 43818955

(3,4-difluorophenyl)(1-methyl-1h-imidazol-2-yl)methanamine

Structural Information

Molecular Formula
C11H11F2N3
SMILES
CN1C=CN=C1C(C2=CC(=C(C=C2)F)F)N
InChI
InChI=1S/C11H11F2N3/c1-16-5-4-15-11(16)10(14)7-2-3-8(12)9(13)6-7/h2-6,10H,14H2,1H3
InChIKey
KNMUEJFWJANZDS-UHFFFAOYSA-N
Compound name
(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.0921 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09938 145.9
[M+Na]+ 246.08132 155.5
[M-H]- 222.08482 147.8
[M+NH4]+ 241.12592 163.1
[M+K]+ 262.05526 151.3
[M+H-H2O]+ 206.08936 136.1
[M+HCOO]- 268.09030 166.7
[M+CH3COO]- 282.10595 192.1
[M+Na-2H]- 244.06677 147.9
[M]+ 223.09155 142.5
[M]- 223.09265 142.5
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.