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
2
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 169.1
[M+Na]+ 385.05648 175.7
[M-H]- 361.05998 160.9
[M+NH4]+ 380.10108 179.2
[M+K]+ 401.03042 172.0
[M+H-H2O]+ 345.06452 158.0
[M+HCOO]- 407.06546 177.7
[M+CH3COO]- 421.08111 213.4
[M+Na-2H]- 383.04193 169.7
[M]+ 362.06671 156.1
[M]- 362.06781 156.1
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.