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 172.0
[M-H]- 276.16052 167.9
[M+NH4]+ 295.20162 180.9
[M+K]+ 316.13096 164.9
[M+H-H2O]+ 260.16506 164.9
[M+HCOO]- 322.16600 184.4
[M+CH3COO]- 336.18165 194.1
[M+Na-2H]- 298.14247 170.8
[M]+ 277.16725 165.2
[M]- 277.16835 165.2
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