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]+ 204.09316 142.5
[M+Na]+ 226.07510 151.7
[M-H]- 202.07860 145.2
[M+NH4]+ 221.11970 158.4
[M+K]+ 242.04904 147.0
[M+H-H2O]+ 186.08314 133.0
[M+HCOO]- 248.08408 164.6
[M+CH3COO]- 262.09973 154.9
[M+Na-2H]- 224.06055 149.8
[M]+ 203.08533 139.6
[M]- 203.08643 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.