CID 116744

4-(1-ethylbutyl)benzophenone

Structural Information

Molecular Formula
C19H22O
SMILES
CCCC(CC)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H22O/c1-3-8-15(4-2)16-11-13-18(14-12-16)19(20)17-9-6-5-7-10-17/h5-7,9-15H,3-4,8H2,1-2H3
InChIKey
SKWVWAZNCBLIAF-UHFFFAOYSA-N
Compound name
(4-hexan-3-ylphenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

266.16705 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17433 165.1
[M+Na]+ 289.15627 170.2
[M-H]- 265.15977 171.1
[M+NH4]+ 284.20087 181.2
[M+K]+ 305.13021 166.0
[M+H-H2O]+ 249.16431 157.2
[M+HCOO]- 311.16525 186.2
[M+CH3COO]- 325.18090 201.1
[M+Na-2H]- 287.14172 167.3
[M]+ 266.16650 165.8
[M]- 266.16760 165.8
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