CID 79722

2,2',4,4',6,6'-hexamethylbenzophenone

Structural Information

Molecular Formula
C19H22O
SMILES
CC1=CC(=C(C(=C1)C)C(=O)C2=C(C=C(C=C2C)C)C)C
InChI
InChI=1S/C19H22O/c1-11-7-13(3)17(14(4)8-11)19(20)18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3
InChIKey
SKMUIZHHMAPKIV-UHFFFAOYSA-N
Compound name
bis(2,4,6-trimethylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

117
Patents

266.16705 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17433 160.4
[M+Na]+ 289.15627 170.5
[M-H]- 265.15977 168.4
[M+NH4]+ 284.20087 178.3
[M+K]+ 305.13021 166.3
[M+H-H2O]+ 249.16431 153.7
[M+HCOO]- 311.16525 182.6
[M+CH3COO]- 325.18090 206.2
[M+Na-2H]- 287.14172 160.7
[M]+ 266.16650 163.9
[M]- 266.16760 163.9
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