CID 92697

2,4,6-triisopropylbenzoyl chloride

Structural Information

Molecular Formula
C16H23ClO
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)Cl)C(C)C
InChI
InChI=1S/C16H23ClO/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6/h7-11H,1-6H3
InChIKey
OSKNTKJPGKHDHV-UHFFFAOYSA-N
Compound name
2,4,6-tri(propan-2-yl)benzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

266.14374 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15102 159.7
[M+Na]+ 289.13296 167.2
[M-H]- 265.13646 163.5
[M+NH4]+ 284.17756 177.9
[M+K]+ 305.10690 163.4
[M+H-H2O]+ 249.14100 155.1
[M+HCOO]- 311.14194 174.0
[M+CH3COO]- 325.15759 204.3
[M+Na-2H]- 287.11841 157.2
[M]+ 266.14319 163.8
[M]- 266.14429 163.8
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