CID 72206822

1350766-57-2

Structural Information

Molecular Formula
C7H8BF3N
SMILES
[B-](CCC1=CC=CC=N1)(F)(F)F
InChI
InChI=1S/C7H8BF3N/c9-8(10,11)5-4-7-3-1-2-6-12-7/h1-3,6H,4-5H2/q-1
InChIKey
RYRJFTBJMJPRPE-UHFFFAOYSA-N
Compound name
trifluoro(2-pyridin-2-ylethyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.07019 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07747 128.6
[M+Na]+ 197.05941 136.6
[M-H]- 173.06291 125.2
[M+NH4]+ 192.10401 146.9
[M+K]+ 213.03335 134.1
[M+H-H2O]+ 157.06745 122.4
[M+HCOO]- 219.06839 146.9
[M+CH3COO]- 233.08404 176.3
[M+Na-2H]- 195.04486 135.6
[M]+ 174.06964 122.2
[M]- 174.07074 122.2
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.