CID 495516

Nsc656982

Structural Information

Molecular Formula
C16H17BFNO2
SMILES
B(C1=CC=CC=C1)(OC(=O)C(C2=CC=CC=C2)N(C)C)F
InChI
InChI=1S/C16H17BFNO2/c1-19(2)15(13-9-5-3-6-10-13)16(20)21-17(18)14-11-7-4-8-12-14/h3-12,15H,1-2H3
InChIKey
AUIDSVMTMYRULK-UHFFFAOYSA-N
Compound name
[fluoro(phenyl)boranyl] 2-(dimethylamino)-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.13364 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14092 165.3
[M+Na]+ 308.12286 169.4
[M-H]- 284.12636 171.3
[M+NH4]+ 303.16746 180.5
[M+K]+ 324.09680 167.8
[M+H-H2O]+ 268.13090 155.9
[M+HCOO]- 330.13184 186.9
[M+CH3COO]- 344.14749 206.5
[M+Na-2H]- 306.10831 167.3
[M]+ 285.13309 165.1
[M]- 285.13419 165.1
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.