CID 4962201

852934-12-4

Structural Information

Molecular Formula
C13H15ClFN3
SMILES
C1=CC(=C(C(=C1)Cl)CNCCCN2C=CN=C2)F
InChI
InChI=1S/C13H15ClFN3/c14-12-3-1-4-13(15)11(12)9-16-5-2-7-18-8-6-17-10-18/h1,3-4,6,8,10,16H,2,5,7,9H2
InChIKey
GOFVEVMNZARKMO-UHFFFAOYSA-N
Compound name
N-[(2-chloro-6-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.09384 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10112 158.4
[M+Na]+ 290.08306 167.1
[M-H]- 266.08656 160.8
[M+NH4]+ 285.12766 174.6
[M+K]+ 306.05700 160.9
[M+H-H2O]+ 250.09110 148.8
[M+HCOO]- 312.09204 176.4
[M+CH3COO]- 326.10769 197.7
[M+Na-2H]- 288.06851 162.2
[M]+ 267.09329 159.8
[M]- 267.09439 159.8
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.