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

2
Patents

149.04979 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.057066 121.3
[M+Na]+ 172.039008 130.3
[M-H]- 148.042514 116.9
[M+NH4]+ 167.083613 140.9
[M+K]+ 188.012948 129.0
[M+H-H2O]+ 132.047050 114.7
[M+HCOO]- 194.047991 139.9
[M+CH3COO]- 208.063641 170.1
[M+Na-2H]- 170.024456 127.6
[M]+ 149.04924142 114.9
[M]- 149.05033858 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

patents stripe