CID 53487969

851984-15-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
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

No literature data available for this compound.

Patent stripe

patents stripe