CID 495518

Nsc656984

Structural Information

Molecular Formula
C14H20BFN2O2
SMILES
B(C1=CC=CC=C1)(OC(=O)C(C(C)C)N=CN(C)C)F
InChI
InChI=1S/C14H20BFN2O2/c1-11(2)13(17-10-18(3)4)14(19)20-15(16)12-8-6-5-7-9-12/h5-11,13H,1-4H3
InChIKey
OIDRPXXRSBUTDB-UHFFFAOYSA-N
Compound name
[fluoro(phenyl)boranyl] 2-(dimethylaminomethylideneamino)-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1602 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.16748 166.2
[M+Na]+ 301.14942 169.6
[M-H]- 277.15292 170.4
[M+NH4]+ 296.19402 182.4
[M+K]+ 317.12336 170.0
[M+H-H2O]+ 261.15746 157.4
[M+HCOO]- 323.15840 188.7
[M+CH3COO]- 337.17405 211.8
[M+Na-2H]- 299.13487 166.1
[M]+ 278.15965 167.5
[M]- 278.16075 167.5
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.