CID 1576893

135979-40-7

Structural Information

Molecular Formula
C24H25ClO3
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl
InChI
InChI=1S/C24H25ClO3/c1-23(2,3)16-11-13(12-17(22(16)28)24(4,5)6)18-19(25)21(27)15-10-8-7-9-14(15)20(18)26/h7-12,28H,1-6H3
InChIKey
PTHSANSKCAYXDD-UHFFFAOYSA-N
Compound name
2-chloro-3-(3,5-ditert-butyl-4-hydroxyphenyl)naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

396.14923 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.15651 194.8
[M+Na]+ 419.13845 205.2
[M-H]- 395.14195 202.1
[M+NH4]+ 414.18305 208.6
[M+K]+ 435.11239 198.8
[M+H-H2O]+ 379.14649 188.7
[M+HCOO]- 441.14743 205.7
[M+CH3COO]- 455.16308 223.8
[M+Na-2H]- 417.12390 196.2
[M]+ 396.14868 199.8
[M]- 396.14978 199.8
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