CID 24989762

Flubrobenguane f18

Structural Information

Molecular Formula
C11H15BrFN3O
SMILES
C1=CC(=C(C=C1CN=C(N)N)Br)OCCC[18F]
InChI
InChI=1S/C11H15BrFN3O/c12-9-6-8(7-16-11(14)15)2-3-10(9)17-5-1-4-13/h2-3,6H,1,4-5,7H2,(H4,14,15,16)/i13-1
InChIKey
ZYULQCDNUYJBRI-HSGWXFLFSA-N
Compound name
2-[[3-bromo-4-(3-(18F)fluoranylpropoxy)phenyl]methyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

302.0408 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.04808 160.6
[M+Na]+ 325.03002 169.5
[M-H]- 301.03352 165.3
[M+NH4]+ 320.07462 178.4
[M+K]+ 341.00396 157.2
[M+H-H2O]+ 285.03806 156.6
[M+HCOO]- 347.03900 183.0
[M+CH3COO]- 361.05465 208.6
[M+Na-2H]- 323.01547 164.2
[M]+ 302.04025 176.5
[M]- 302.04135 176.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe