CID 43152245

2-[(4-fluorophenyl)methyl]pyrimidin-5-amine

Structural Information

Molecular Formula
C11H10FN3
SMILES
C1=CC(=CC=C1CC2=NC=C(C=N2)N)F
InChI
InChI=1S/C11H10FN3/c12-9-3-1-8(2-4-9)5-11-14-6-10(13)7-15-11/h1-4,6-7H,5,13H2
InChIKey
WDAIFGQKPBUAEW-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]pyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.08588 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.093156 142.5
[M+Na]+ 226.075098 151.7
[M-H]- 202.078604 145.2
[M+NH4]+ 221.119703 158.4
[M+K]+ 242.049038 147.0
[M+H-H2O]+ 186.083140 133.0
[M+HCOO]- 248.084081 164.6
[M+CH3COO]- 262.099731 154.9
[M+Na-2H]- 224.060546 149.8
[M]+ 203.08533142 139.6
[M]- 203.08642858 139.6
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.