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

3509
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 122.9
[M+Na]+ 165.00776 138.1
[M+NH4]+ 160.05236 133.2
[M+K]+ 180.98170 130.4
[M-H]- 141.01126 126.1
[M+Na-2H]- 162.99321 131.9
[M]+ 142.01799 126.4
[M]- 142.01909 126.4
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