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

46
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 158.9
[M+Na]+ 275.15369 166.4
[M-H]- 251.15719 162.5
[M+NH4]+ 270.19829 177.9
[M+K]+ 291.12763 162.2
[M+H-H2O]+ 235.16173 154.2
[M+HCOO]- 297.16267 173.8
[M+CH3COO]- 311.17832 202.3
[M+Na-2H]- 273.13914 157.5
[M]+ 252.16392 162.8
[M]- 252.16502 162.8
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