CID 494383

Nsc620260

Structural Information

Molecular Formula
C11H11BF2NO4
SMILES
[B-]1(N(C(C(=O)O1)CC(=O)O)CC2=CC=CC=C2)(F)F
InChI
InChI=1S/C11H11BF2NO4/c13-12(14)15(7-8-4-2-1-3-5-8)9(6-10(16)17)11(18)19-12/h1-5,9H,6-7H2,(H,16,17)/q-1
InChIKey
QQDOQMDIHUNBCY-UHFFFAOYSA-N
Compound name
2-(3-benzyl-2,2-difluoro-5-oxo-1-oxa-3-aza-2-boranuidacyclopent-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.07492 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08220 151.3
[M+Na]+ 293.06414 159.4
[M-H]- 269.06764 152.1
[M+NH4]+ 288.10874 167.3
[M+K]+ 309.03808 157.4
[M+H-H2O]+ 253.07218 145.9
[M+HCOO]- 315.07312 168.1
[M+CH3COO]- 329.08877 188.9
[M+Na-2H]- 291.04959 152.9
[M]+ 270.07437 147.3
[M]- 270.07547 147.3
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.