CID 165980556

En300-37300089

Structural Information

Molecular Formula
C16H22BF3NO2
SMILES
[B-](CC1(CCN(C1)C(=O)OC(C)(C)C)C2=CC=CC=C2)(F)(F)F
InChI
InChI=1S/C16H22BF3NO2/c1-15(2,3)23-14(22)21-10-9-16(12-21,11-17(18,19)20)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3/q-1
InChIKey
IGZZSNBCZZUDOU-UHFFFAOYSA-N
Compound name
trifluoro-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylpyrrolidin-3-yl]methyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.16956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.17684 172.9
[M+Na]+ 351.15878 178.5
[M-H]- 327.16228 172.4
[M+NH4]+ 346.20338 188.6
[M+K]+ 367.13272 175.5
[M+H-H2O]+ 311.16682 166.4
[M+HCOO]- 373.16776 185.7
[M+CH3COO]- 387.18341 202.3
[M+Na-2H]- 349.14423 174.3
[M]+ 328.16901 166.5
[M]- 328.17011 166.5
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.