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

5160
Patents

142.01854 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.025816 122.8
[M+Na]+ 165.007758 132.9
[M-H]- 141.011264 126.9
[M+NH4]+ 160.052363 145.7
[M+K]+ 180.981698 130.1
[M+H-H2O]+ 125.015800 118.8
[M+HCOO]- 187.016741 143.8
[M+CH3COO]- 201.032391 172.4
[M+Na-2H]- 162.993206 131.2
[M]+ 142.01799142 125.8
[M]- 142.01908858 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

literature stripe

Patent stripe

patents stripe