CID 72183117

2-chloro-5-(trifluoromethyl)pyrimidin-4-amine

Structural Information

Molecular Formula
C5H3ClF3N3
SMILES
C1=C(C(=NC(=N1)Cl)N)C(F)(F)F
InChI
InChI=1S/C5H3ClF3N3/c6-4-11-1-2(3(10)12-4)5(7,8)9/h1H,(H2,10,11,12)
InChIKey
PJQOTFJZZMWUMS-UHFFFAOYSA-N
Compound name
2-chloro-5-(trifluoromethyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

182
Patents

196.99677 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.00405 132.4
[M+Na]+ 219.98599 143.9
[M-H]- 195.98949 129.6
[M+NH4]+ 215.03059 149.8
[M+K]+ 235.95993 139.3
[M+H-H2O]+ 179.99403 123.9
[M+HCOO]- 241.99497 146.6
[M+CH3COO]- 256.01062 182.8
[M+Na-2H]- 217.97144 139.0
[M]+ 196.99622 128.6
[M]- 196.99732 128.6
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

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