CID 57236902

1-(chloromethyl)-4-cyclobutylbenzene

Structural Information

Molecular Formula
C11H13Cl
SMILES
C1CC(C1)C2=CC=C(C=C2)CCl
InChI
InChI=1S/C11H13Cl/c12-8-9-4-6-11(7-5-9)10-2-1-3-10/h4-7,10H,1-3,8H2
InChIKey
SBTDFAQEWXVTHL-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-4-cyclobutylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

180.07057 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.07785 130.1
[M+Na]+ 203.05979 137.5
[M-H]- 179.06329 136.3
[M+NH4]+ 198.10439 144.9
[M+K]+ 219.03373 136.0
[M+H-H2O]+ 163.06783 120.2
[M+HCOO]- 225.06877 148.1
[M+CH3COO]- 239.08442 184.0
[M+Na-2H]- 201.04524 136.5
[M]+ 180.07002 139.0
[M]- 180.07112 139.0
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