CID 67479916

2-(pyrrolidin-3-yl)-4-(trifluoromethyl)pyrimidine hydrochloride

Structural Information

Molecular Formula
C9H10F3N3
SMILES
C1CNCC1C2=NC=CC(=N2)C(F)(F)F
InChI
InChI=1S/C9H10F3N3/c10-9(11,12)7-2-4-14-8(15-7)6-1-3-13-5-6/h2,4,6,13H,1,3,5H2
InChIKey
BSKVXERQVWIOBC-UHFFFAOYSA-N
Compound name
2-pyrrolidin-3-yl-4-(trifluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

217.08269 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.089966 144.2
[M+Na]+ 240.071908 152.0
[M-H]- 216.075414 141.4
[M+NH4]+ 235.116513 159.4
[M+K]+ 256.045848 147.7
[M+H-H2O]+ 200.079950 133.4
[M+HCOO]- 262.080891 157.8
[M+CH3COO]- 276.096541 182.3
[M+Na-2H]- 238.057356 147.9
[M]+ 217.08214142 135.6
[M]- 217.08323858 135.6
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