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

13
Patents

220.99677 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.004046 137.7
[M+Na]+ 243.985988 151.2
[M-H]- 219.989494 134.0
[M+NH4]+ 239.030593 155.6
[M+K]+ 259.959928 144.9
[M+H-H2O]+ 203.994030 128.7
[M+HCOO]- 265.994971 150.0
[M+CH3COO]- 280.010621 150.2
[M+Na-2H]- 241.971436 144.9
[M]+ 220.99622142 136.3
[M]- 220.99731858 136.3
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