CID 255807

13131-76-5

Structural Information

Molecular Formula
C27H30O
SMILES
CC(C)(C)C1=CC(=C(C2=CC=CC=C2)C3=CC=CC=C3)C=C(C1=O)C(C)(C)C
InChI
InChI=1S/C27H30O/c1-26(2,3)22-17-21(18-23(25(22)28)27(4,5)6)24(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-18H,1-6H3
InChIKey
YYCJKXQRAPJWCE-UHFFFAOYSA-N
Compound name
4-benzhydrylidene-2,6-ditert-butylcyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

370.22968 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.23696 192.3
[M+Na]+ 393.21890 197.6
[M-H]- 369.22240 201.5
[M+NH4]+ 388.26350 204.5
[M+K]+ 409.19284 191.6
[M+H-H2O]+ 353.22694 183.6
[M+HCOO]- 415.22788 208.5
[M+CH3COO]- 429.24353 220.7
[M+Na-2H]- 391.20435 193.4
[M]+ 370.22913 191.2
[M]- 370.23023 191.2
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