CID 118625591

4-chloro-6-(trifluoromethyl)-7h-pyrrolo[2,3-d]pyrimidine

Structural Information

Molecular Formula
C7H3ClF3N3
SMILES
C1=C(NC2=C1C(=NC=N2)Cl)C(F)(F)F
InChI
InChI=1S/C7H3ClF3N3/c8-5-3-1-4(7(9,10)11)14-6(3)13-2-12-5/h1-2H,(H,12,13,14)
InChIKey
NAKVHEWRZBCYMW-UHFFFAOYSA-N
Compound name
4-chloro-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

220.99677 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.00405 138.9
[M+Na]+ 243.98599 149.9
[M+NH4]+ 239.03059 144.5
[M+K]+ 259.95993 146.4
[M-H]- 219.98949 134.5
[M+Na-2H]- 241.97144 143.5
[M]+ 220.99622 139.2
[M]- 220.99732 139.2
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

patents stripe