CID 6444597

Beta-nitro-3,5-di-tert-butyl-4-hydroxystyrene

Structural Information

Molecular Formula
C16H23NO3
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C16H23NO3/c1-15(2,3)12-9-11(7-8-17(19)20)10-13(14(12)18)16(4,5)6/h7-10,18H,1-6H3/b8-7+
InChIKey
WOXMNVUOAYYRCE-BQYQJAHWSA-N
Compound name
2,6-ditert-butyl-4-[(E)-2-nitroethenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

277.1678 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 165.0
[M+Na]+ 300.15702 176.8
[M+NH4]+ 295.20162 171.3
[M+K]+ 316.13096 174.4
[M-H]- 276.16052 166.3
[M+Na-2H]- 298.14247 169.0
[M]+ 277.16725 167.0
[M]- 277.16835 167.0
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

patents stripe