CID 12167

4-chloroanisole

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

19
References

15074
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 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

literature stripe

Patent stripe

patents stripe