CID 11148797

664364-89-0

Structural Information

Molecular Formula
C9H9BF3
SMILES
[B-]([C@@H]1C[C@H]1C2=CC=CC=C2)(F)(F)F
InChI
InChI=1S/C9H9BF3/c11-10(12,13)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2/q-1/t8-,9+/m0/s1
InChIKey
KMISGGRORWMRRI-DTWKUNHWSA-N
Compound name
trifluoro-[(1R,2R)-2-phenylcyclopropyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.07494 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.08222 125.5
[M+Na]+ 208.06416 135.1
[M-H]- 184.06766 127.8
[M+NH4]+ 203.10876 140.0
[M+K]+ 224.03810 131.7
[M+H-H2O]+ 168.07220 119.1
[M+HCOO]- 230.07314 145.2
[M+CH3COO]- 244.08879 182.7
[M+Na-2H]- 206.04961 131.6
[M]+ 185.07439 121.1
[M]- 185.07549 121.1
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.