CID 3087476

Crl 41329

Structural Information

Molecular Formula
C10H11FN2
SMILES
C1C(CN=CN1)C2=CC=CC=C2F
InChI
InChI=1S/C10H11FN2/c11-10-4-2-1-3-9(10)8-5-12-7-13-6-8/h1-4,7-8H,5-6H2,(H,12,13)
InChIKey
ZLBLOIBVMVPLAV-UHFFFAOYSA-N
Compound name
5-(2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

178.09062 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.097896 137.0
[M+Na]+ 201.079838 144.0
[M-H]- 177.083344 137.8
[M+NH4]+ 196.124443 153.4
[M+K]+ 217.053778 139.6
[M+H-H2O]+ 161.087880 128.0
[M+HCOO]- 223.088821 154.6
[M+CH3COO]- 237.104471 148.5
[M+Na-2H]- 199.065286 143.6
[M]+ 178.09007142 130.3
[M]- 178.09116858 130.3
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

patents stripe