CID 81201

(chloromethoxy)benzene

Structural Information

Molecular Formula
C7H7ClO
SMILES
C1=CC=C(C=C1)OCCl
InChI
InChI=1S/C7H7ClO/c8-6-9-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
XBYOCRCRHQJSIG-UHFFFAOYSA-N
Compound name
chloromethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1683
Patents

142.01854 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.025816 123.5
[M+Na]+ 165.007758 132.6
[M-H]- 141.011264 127.2
[M+NH4]+ 160.052363 146.0
[M+K]+ 180.981698 129.8
[M+H-H2O]+ 125.015800 119.1
[M+HCOO]- 187.016741 144.5
[M+CH3COO]- 201.032391 171.3
[M+Na-2H]- 162.993206 132.5
[M]+ 142.01799142 126.1
[M]- 142.01908858 126.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe