CID 154577386

2418717-81-2

Structural Information

Molecular Formula
C11H15Cl
SMILES
CC1=C(C=CC(=C1)CCl)C(C)C
InChI
InChI=1S/C11H15Cl/c1-8(2)11-5-4-10(7-12)6-9(11)3/h4-6,8H,7H2,1-3H3
InChIKey
WYGIEVGHPLGNJQ-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-methyl-1-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.08623 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.09351 137.6
[M+Na]+ 205.07545 146.7
[M-H]- 181.07895 141.5
[M+NH4]+ 200.12005 159.1
[M+K]+ 221.04939 142.8
[M+H-H2O]+ 165.08349 133.3
[M+HCOO]- 227.08443 156.0
[M+CH3COO]- 241.10008 184.5
[M+Na-2H]- 203.06090 141.9
[M]+ 182.08568 140.4
[M]- 182.08678 140.4
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.