CID 119014753

2-chloro-5-(trifluoromethoxy)pyrimidine

Structural Information

Molecular Formula
C5H2ClF3N2O
SMILES
C1=C(C=NC(=N1)Cl)OC(F)(F)F
InChI
InChI=1S/C5H2ClF3N2O/c6-4-10-1-3(2-11-4)12-5(7,8)9/h1-2H
InChIKey
XRSAABPVASYNIW-UHFFFAOYSA-N
Compound name
2-chloro-5-(trifluoromethoxy)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

197.98077 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.98805 129.9
[M+Na]+ 220.96999 141.2
[M-H]- 196.97349 127.3
[M+NH4]+ 216.01459 147.5
[M+K]+ 236.94393 137.7
[M+H-H2O]+ 180.97803 121.3
[M+HCOO]- 242.97897 143.9
[M+CH3COO]- 256.99462 179.6
[M+Na-2H]- 218.95544 138.1
[M]+ 197.98022 128.9
[M]- 197.98132 128.9
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