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

7
Patents

182.04984 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.057116 133.2
[M+Na]+ 205.039058 143.5
[M-H]- 181.042564 140.6
[M+NH4]+ 200.083663 149.3
[M+K]+ 221.012998 139.5
[M+H-H2O]+ 165.047100 127.4
[M+HCOO]- 227.048041 153.7
[M+CH3COO]- 241.063691 183.3
[M+Na-2H]- 203.024506 140.4
[M]+ 182.04929142 138.1
[M]- 182.05038858 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