CID 91751415

2-(chloromethyl)-4-methyl-1-(propan-2-yl)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

182.08623 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.093506 137.6
[M+Na]+ 205.075448 146.7
[M-H]- 181.078954 141.5
[M+NH4]+ 200.120053 159.1
[M+K]+ 221.049388 142.8
[M+H-H2O]+ 165.083490 133.3
[M+HCOO]- 227.084431 156.0
[M+CH3COO]- 241.100081 184.5
[M+Na-2H]- 203.060896 141.9
[M]+ 182.08568142 140.4
[M]- 182.08677858 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

patents stripe