CID 63702554

1445962-99-1

Structural Information

Molecular Formula
C4H5BF3N2
SMILES
[B-](CN1C=CC=N1)(F)(F)F
InChI
InChI=1S/C4H5BF3N2/c6-5(7,8)4-10-3-1-2-9-10/h1-3H,4H2/q-1
InChIKey
JDSLVYLODWBBFM-UHFFFAOYSA-N
Compound name
trifluoro(pyrazol-1-ylmethyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.04979 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05707 121.3
[M+Na]+ 172.03901 130.3
[M-H]- 148.04251 116.9
[M+NH4]+ 167.08361 140.9
[M+K]+ 188.01295 129.0
[M+H-H2O]+ 132.04705 114.7
[M+HCOO]- 194.04799 139.9
[M+CH3COO]- 208.06364 170.1
[M+Na-2H]- 170.02446 127.6
[M]+ 149.04924 114.9
[M]- 149.05034 114.9
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.