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

5
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 129.3
[M+Na]+ 189.04415 139.6
[M-H]- 165.04765 136.7
[M+NH4]+ 184.08875 146.0
[M+K]+ 205.01809 135.3
[M+H-H2O]+ 149.05219 123.6
[M+HCOO]- 211.05313 149.6
[M+CH3COO]- 225.06878 181.4
[M+Na-2H]- 187.02960 136.6
[M]+ 166.05438 132.8
[M]- 166.05548 132.8
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