CID 3024465

95719-24-7

Structural Information

Molecular Formula
C16H17Cl
SMILES
CC1=C(C=CC(=C1C)Cl)C(C)C2=CC=CC=C2
InChI
InChI=1S/C16H17Cl/c1-11-12(2)16(17)10-9-15(11)13(3)14-7-5-4-6-8-14/h4-10,13H,1-3H3
InChIKey
JVZOSCNIJORZIZ-UHFFFAOYSA-N
Compound name
1-chloro-2,3-dimethyl-4-(1-phenylethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.10188 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.10916 153.9
[M+Na]+ 267.09110 163.1
[M-H]- 243.09460 160.9
[M+NH4]+ 262.13570 172.8
[M+K]+ 283.06504 157.4
[M+H-H2O]+ 227.09914 147.8
[M+HCOO]- 289.10008 172.1
[M+CH3COO]- 303.11573 196.1
[M+Na-2H]- 265.07655 157.2
[M]+ 244.10133 156.5
[M]- 244.10243 156.5
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

No patent data available for this compound.