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]+ 148.041406 119.3
[M+Na]+ 170.023348 128.6
[M-H]- 146.026854 114.9
[M+NH4]+ 165.067953 137.3
[M+K]+ 185.997288 126.6
[M+H-H2O]+ 130.031390 112.7
[M+HCOO]- 192.032331 137.2
[M+CH3COO]- 206.047981 169.9
[M+Na-2H]- 168.008796 128.0
[M]+ 147.03358142 112.3
[M]- 147.03467858 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.