CID 4131671

329976-74-1

Structural Information

Molecular Formula
C8H9BF3
SMILES
[B-](CCC1=CC=CC=C1)(F)(F)F
InChI
InChI=1S/C8H9BF3/c10-9(11,12)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2/q-1
InChIKey
LOSVZUYULICJIW-UHFFFAOYSA-N
Compound name
trifluoro(2-phenylethyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

173.07494 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.082216 128.7
[M+Na]+ 196.064158 136.3
[M-H]- 172.067664 126.6
[M+NH4]+ 191.108763 148.3
[M+K]+ 212.038098 133.7
[M+H-H2O]+ 156.072200 123.3
[M+HCOO]- 218.073141 148.0
[M+CH3COO]- 232.088791 176.8
[M+Na-2H]- 194.049606 135.0
[M]+ 173.07439142 122.2
[M]- 173.07548858 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

literature stripe

Patent stripe

patents stripe