CID 138396496

N-[5-borono-2-(heptafluoropropyl)phenyl]glycinamide

Structural Information

Molecular Formula
C11H10BF7N2O3
SMILES
B(C1=CC(=C(C=C1)C(C(C(F)(F)F)(F)F)(F)F)NC(=O)CN)(O)O
InChI
InChI=1S/C11H10BF7N2O3/c13-9(14,10(15,16)11(17,18)19)6-2-1-5(12(23)24)3-7(6)21-8(22)4-20/h1-3,23-24H,4,20H2,(H,21,22)
InChIKey
NTJIDKAVRFKSDV-UHFFFAOYSA-N
Compound name
[3-[(2-aminoacetyl)amino]-4-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.06726 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.07454 181.2
[M+Na]+ 385.05648 181.8
[M+NH4]+ 380.10108 180.3
[M+K]+ 401.03042 180.8
[M-H]- 361.05998 172.6
[M+Na-2H]- 383.04193 178.8
[M]+ 362.06671 178.2
[M]- 362.06781 178.2
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.