CID 138532683

5-(trifluoromethoxy)pyrimidin-2-amine

Structural Information

Molecular Formula
C5H4F3N3O
SMILES
C1=C(C=NC(=N1)N)OC(F)(F)F
InChI
InChI=1S/C5H4F3N3O/c6-5(7,8)12-3-1-10-4(9)11-2-3/h1-2H,(H2,9,10,11)
InChIKey
SBCPMOQVZNGJPL-UHFFFAOYSA-N
Compound name
5-(trifluoromethoxy)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

179.03064 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.037916 130.6
[M+Na]+ 202.019858 140.4
[M-H]- 178.023364 127.7
[M+NH4]+ 197.064463 147.5
[M+K]+ 217.993798 138.3
[M+H-H2O]+ 162.027900 121.2
[M+HCOO]- 224.028841 149.7
[M+CH3COO]- 238.044491 179.9
[M+Na-2H]- 200.005306 138.4
[M]+ 179.03009142 126.0
[M]- 179.03118858 126.0
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