CID 155970421

En300-27753963

Structural Information

Molecular Formula
C15H17BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C(C=C3)[N+](=O)[O-])N=C2
InChI
InChI=1S/C15H17BN2O4/c1-14(2)15(3,4)22-16(21-14)11-7-10-5-6-12(18(19)20)8-13(10)17-9-11/h5-9H,1-4H3
InChIKey
KNYWRMRLIWMOAM-UHFFFAOYSA-N
Compound name
7-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.12814 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.13542 164.4
[M+Na]+ 323.11736 173.4
[M-H]- 299.12086 172.9
[M+NH4]+ 318.16196 181.8
[M+K]+ 339.09130 168.8
[M+H-H2O]+ 283.12540 162.4
[M+HCOO]- 345.12634 184.1
[M+CH3COO]- 359.14199 198.2
[M+Na-2H]- 321.10281 173.2
[M]+ 300.12759 166.6
[M]- 300.12869 166.6
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.