CID 104112

Phenol, 2-[(4-chloro-2-nitrophenyl)azo]-4,6-bis(1,1-dimethylethyl)-

Structural Information

Molecular Formula
C20H24ClN3O3
SMILES
CC(C)(C)C1=CC(=C(C(=C1)N=NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])O)C(C)(C)C
InChI
InChI=1S/C20H24ClN3O3/c1-19(2,3)12-9-14(20(4,5)6)18(25)16(10-12)23-22-15-8-7-13(21)11-17(15)24(26)27/h7-11,25H,1-6H3
InChIKey
IIHNCIPIAMRRIQ-UHFFFAOYSA-N
Compound name
2,4-ditert-butyl-6-[(4-chloro-2-nitrophenyl)diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

51
Patents

389.1506 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.15788 194.4
[M+Na]+ 412.13982 201.4
[M-H]- 388.14332 202.8
[M+NH4]+ 407.18442 206.8
[M+K]+ 428.11376 193.3
[M+H-H2O]+ 372.14786 191.8
[M+HCOO]- 434.14880 213.7
[M+CH3COO]- 448.16445 222.9
[M+Na-2H]- 410.12527 200.2
[M]+ 389.15005 198.3
[M]- 389.15115 198.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe