CID 56776917

1426804-80-9

Structural Information

Molecular Formula
C12H15BClNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C12H15BClNO4/c1-11(2)12(3,4)19-13(18-11)9-6-5-8(15(16)17)7-10(9)14/h5-7H,1-4H3
InChIKey
AYPQIFIELRRUTA-UHFFFAOYSA-N
Compound name
2-(2-chloro-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

283.07828 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.08556 157.6
[M+Na]+ 306.06750 167.0
[M-H]- 282.07100 166.3
[M+NH4]+ 301.11210 177.1
[M+K]+ 322.04144 162.1
[M+H-H2O]+ 266.07554 158.9
[M+HCOO]- 328.07648 175.2
[M+CH3COO]- 342.09213 192.5
[M+Na-2H]- 304.05295 164.9
[M]+ 283.07773 161.5
[M]- 283.07883 161.5
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

patents stripe