CID 137952069

1612892-43-9

Structural Information

Molecular Formula
C11H11BF3O2
SMILES
[B-]([C@@H]1C[C@H]1C(=O)OCC2=CC=CC=C2)(F)(F)F
InChI
InChI=1S/C11H11BF3O2/c13-12(14,15)10-6-9(10)11(16)17-7-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2/q-1/t9-,10-/m1/s1
InChIKey
ZSSWCLSGVBVUAN-NXEZZACHSA-N
Compound name
trifluoro-[(1R,2R)-2-phenylmethoxycarbonylcyclopropyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.08041 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.08769 141.0
[M+Na]+ 266.06963 149.7
[M-H]- 242.07313 143.0
[M+NH4]+ 261.11423 153.1
[M+K]+ 282.04357 146.3
[M+H-H2O]+ 226.07767 134.2
[M+HCOO]- 288.07861 159.6
[M+CH3COO]- 302.09426 191.3
[M+Na-2H]- 264.05508 144.9
[M]+ 243.07986 138.7
[M]- 243.08096 138.7
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.