CID 72219099

1352796-65-6

Structural Information

Molecular Formula
C10H14BFN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)F
InChI
InChI=1S/C10H14BFN2O2/c1-9(2)10(3,4)16-11(15-9)7-5-13-8(12)14-6-7/h5-6H,1-4H3
InChIKey
XFNGULIUEUPWIG-UHFFFAOYSA-N
Compound name
2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

224.11324 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12052 142.1
[M+Na]+ 247.10246 152.9
[M-H]- 223.10596 147.1
[M+NH4]+ 242.14706 161.3
[M+K]+ 263.07640 153.3
[M+H-H2O]+ 207.11050 135.2
[M+HCOO]- 269.11144 160.5
[M+CH3COO]- 283.12709 188.0
[M+Na-2H]- 245.08791 148.7
[M]+ 224.11269 144.0
[M]- 224.11379 144.0
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