CID 17833

3-chloroanisole

Structural Information

Molecular Formula
C7H7ClO
SMILES
COC1=CC(=CC=C1)Cl
InChI
InChI=1S/C7H7ClO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
InChIKey
YUKILTJWFRTXGB-UHFFFAOYSA-N
Compound name
1-chloro-3-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

5157
Patents

142.01854 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.02582 122.8
[M+Na]+ 165.00776 132.9
[M-H]- 141.01126 126.9
[M+NH4]+ 160.05236 145.7
[M+K]+ 180.98170 130.1
[M+H-H2O]+ 125.01580 118.8
[M+HCOO]- 187.01674 143.8
[M+CH3COO]- 201.03239 172.4
[M+Na-2H]- 162.99321 131.2
[M]+ 142.01799 125.8
[M]- 142.01909 125.8
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

No patent data available for this compound.