CID 177799204

4-chloro-6-(trifluoromethyl)pyrimidine-2-carbonitrile

Structural Information

Molecular Formula
C6HClF3N3
SMILES
C1=C(N=C(N=C1Cl)C#N)C(F)(F)F
InChI
InChI=1S/C6HClF3N3/c7-4-1-3(6(8,9)10)12-5(2-11)13-4/h1H
InChIKey
ILRXRKZRWAWIBB-UHFFFAOYSA-N
Compound name
4-chloro-6-(trifluoromethyl)pyrimidine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.98111 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.98839 130.1
[M+Na]+ 229.97033 142.6
[M-H]- 205.97383 127.2
[M+NH4]+ 225.01493 145.4
[M+K]+ 245.94427 138.6
[M+H-H2O]+ 189.97837 115.0
[M+HCOO]- 251.97931 140.8
[M+CH3COO]- 265.99496 194.9
[M+Na-2H]- 227.95578 136.6
[M]+ 206.98056 123.2
[M]- 206.98166 123.2
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

No patent data available for this compound.