CID 125484246

2,4-dimethoxy-5-(nonafluorobutyl)pyrimidine

Structural Information

Molecular Formula
C10H7F9N2O2
SMILES
COC1=NC(=NC=C1C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OC
InChI
InChI=1S/C10H7F9N2O2/c1-22-5-4(3-20-6(21-5)23-2)7(11,12)8(13,14)9(15,16)10(17,18)19/h3H,1-2H3
InChIKey
GEWCUVLRHIXPLH-UHFFFAOYSA-N
Compound name
2,4-dimethoxy-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

358.03638 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.04366 171.0
[M+Na]+ 381.02560 181.6
[M-H]- 357.02910 161.7
[M+NH4]+ 376.07020 181.0
[M+K]+ 396.99954 178.2
[M+H-H2O]+ 341.03364 157.2
[M+HCOO]- 403.03458 176.7
[M+CH3COO]- 417.05023 212.9
[M+Na-2H]- 379.01105 175.3
[M]+ 358.03583 161.6
[M]- 358.03693 161.6
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