CID 6444597

Phenol, 2,6-bis(1,1-dimethylethyl)-4-(2-nitroethenyl)-

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]+ 278.175076 165.0
[M+Na]+ 300.157018 172.0
[M-H]- 276.160524 167.9
[M+NH4]+ 295.201623 180.9
[M+K]+ 316.130958 164.9
[M+H-H2O]+ 260.165060 164.9
[M+HCOO]- 322.166001 184.4
[M+CH3COO]- 336.181651 194.1
[M+Na-2H]- 298.142466 170.8
[M]+ 277.16725142 165.2
[M]- 277.16834858 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