CID 89287018

1-(chloromethyl)-4-cyclopropoxybenzene

Structural Information

Molecular Formula
C10H11ClO
SMILES
C1CC1OC2=CC=C(C=C2)CCl
InChI
InChI=1S/C10H11ClO/c11-7-8-1-3-9(4-2-8)12-10-5-6-10/h1-4,10H,5-7H2
InChIKey
CBVIXGORGWJAPP-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-4-cyclopropyloxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

182.04984 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.05712 133.2
[M+Na]+ 205.03906 143.5
[M-H]- 181.04256 140.6
[M+NH4]+ 200.08366 149.3
[M+K]+ 221.01300 139.5
[M+H-H2O]+ 165.04710 127.4
[M+HCOO]- 227.04804 153.7
[M+CH3COO]- 241.06369 183.3
[M+Na-2H]- 203.02451 140.4
[M]+ 182.04929 138.1
[M]- 182.05039 138.1
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