CID 55298630

1-(chloromethyl)-3-cyclopropylbenzene

Structural Information

Molecular Formula
C10H11Cl
SMILES
C1CC1C2=CC=CC(=C2)CCl
InChI
InChI=1S/C10H11Cl/c11-7-8-2-1-3-10(6-8)9-4-5-9/h1-3,6,9H,4-5,7H2
InChIKey
ISTXLBILFLBCPI-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-3-cyclopropylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

166.05493 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06221 132.3
[M+Na]+ 189.04415 148.6
[M+NH4]+ 184.08875 143.5
[M+K]+ 205.01809 141.5
[M-H]- 165.04765 143.7
[M+Na-2H]- 187.02960 144.3
[M]+ 166.05438 139.4
[M]- 166.05548 139.4
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