CID 12480672

2,4,6-triisopropylbenzyl chloride

Structural Information

Molecular Formula
C16H25Cl
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)CCl)C(C)C
InChI
InChI=1S/C16H25Cl/c1-10(2)13-7-14(11(3)4)16(9-17)15(8-13)12(5)6/h7-8,10-12H,9H2,1-6H3
InChIKey
CQHQLMOCMQMZPP-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-1,3,5-tri(propan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

252.16447 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.17175 161.1
[M+Na]+ 275.15369 174.6
[M+NH4]+ 270.19829 170.1
[M+K]+ 291.12763 167.0
[M-H]- 251.15719 163.9
[M+Na-2H]- 273.13914 166.5
[M]+ 252.16392 164.3
[M]- 252.16502 164.3
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

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