CID 25213121

1111732-99-0

Structural Information

Molecular Formula
C5H5BF3N2O
SMILES
[B-](C1=CN=C(N=C1)OC)(F)(F)F
InChI
InChI=1S/C5H5BF3N2O/c1-12-5-10-2-4(3-11-5)6(7,8)9/h2-3H,1H3/q-1
InChIKey
HHUYFWQCXXPOSM-UHFFFAOYSA-N
Compound name
trifluoro-(2-methoxypyrimidin-5-yl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.04471 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.05199 127.4
[M+Na]+ 200.03393 137.2
[M-H]- 176.03743 123.3
[M+NH4]+ 195.07853 144.4
[M+K]+ 216.00787 135.4
[M+H-H2O]+ 160.04197 120.6
[M+HCOO]- 222.04291 145.2
[M+CH3COO]- 236.05856 175.9
[M+Na-2H]- 198.01938 134.9
[M]+ 177.04416 122.5
[M]- 177.04526 122.5
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

No patent data available for this compound.