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

1678
Patents

142.01854 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.02582 123.5
[M+Na]+ 165.00776 132.6
[M-H]- 141.01126 127.2
[M+NH4]+ 160.05236 146.0
[M+K]+ 180.98170 129.8
[M+H-H2O]+ 125.01580 119.1
[M+HCOO]- 187.01674 144.5
[M+CH3COO]- 201.03239 171.3
[M+Na-2H]- 162.99321 132.5
[M]+ 142.01799 126.1
[M]- 142.01909 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.