CID 254372

2-chloro-5-fluoropyrimidin-4-amine

Structural Information

Molecular Formula
C4H3ClFN3
SMILES
C1=C(C(=NC(=N1)Cl)N)F
InChI
InChI=1S/C4H3ClFN3/c5-4-8-1-2(6)3(7)9-4/h1H,(H2,7,8,9)
InChIKey
SLQAJWTZUXJPNY-UHFFFAOYSA-N
Compound name
2-chloro-5-fluoropyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

381
Patents

146.99995 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.00723 122.3
[M+Na]+ 169.98917 133.6
[M-H]- 145.99267 122.0
[M+NH4]+ 165.03377 141.7
[M+K]+ 185.96311 129.9
[M+H-H2O]+ 129.99721 115.5
[M+HCOO]- 191.99815 140.5
[M+CH3COO]- 206.01380 174.5
[M+Na-2H]- 167.97462 130.0
[M]+ 146.99940 121.1
[M]- 147.00050 121.1
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