CID 211080

22237-20-3

Structural Information

Molecular Formula
C10H13BN2O4
SMILES
B1(OCCNCCO1)C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H13BN2O4/c14-13(15)10-3-1-2-9(8-10)11-16-6-4-12-5-7-17-11/h1-3,8,12H,4-7H2
InChIKey
VTNRZWVOTFWCRX-UHFFFAOYSA-N
Compound name
2-(3-nitrophenyl)-1,3,6,2-dioxazaborocane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.09683 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10411 147.4
[M+Na]+ 259.08605 150.9
[M-H]- 235.08955 149.7
[M+NH4]+ 254.13065 152.8
[M+K]+ 275.05999 150.1
[M+H-H2O]+ 219.09409 145.0
[M+HCOO]- 281.09503 155.5
[M+CH3COO]- 295.11068 221.0
[M+Na-2H]- 257.07150 149.8
[M]+ 236.09628 145.0
[M]- 236.09738 145.0
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.