CID 45588204

1242733-91-0

Structural Information

Molecular Formula
C4H3BF3N2
SMILES
[B-](C1=CN=CN=C1)(F)(F)F
InChI
InChI=1S/C4H3BF3N2/c6-5(7,8)4-1-9-3-10-2-4/h1-3H/q-1
InChIKey
BWFVTFYSYSVKAJ-UHFFFAOYSA-N
Compound name
trifluoro(pyrimidin-5-yl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.03413 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.04141 119.3
[M+Na]+ 170.02335 128.6
[M-H]- 146.02685 114.9
[M+NH4]+ 165.06795 137.3
[M+K]+ 185.99729 126.6
[M+H-H2O]+ 130.03139 112.7
[M+HCOO]- 192.03233 137.2
[M+CH3COO]- 206.04798 169.9
[M+Na-2H]- 168.00880 128.0
[M]+ 147.03358 112.3
[M]- 147.03468 112.3
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

No patent data available for this compound.