CID 99352

1-chloro-2-methoxy-4-methylbenzene

Structural Information

Molecular Formula
C8H9ClO
SMILES
CC1=CC(=C(C=C1)Cl)OC
InChI
InChI=1S/C8H9ClO/c1-6-3-4-7(9)8(5-6)10-2/h3-5H,1-2H3
InChIKey
KBRLTYHUJDMMLI-UHFFFAOYSA-N
Compound name
1-chloro-2-methoxy-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

782
Patents

156.0342 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.041476 126.8
[M+Na]+ 179.023418 137.4
[M-H]- 155.026924 131.2
[M+NH4]+ 174.068023 149.4
[M+K]+ 194.997358 134.4
[M+H-H2O]+ 139.031460 122.8
[M+HCOO]- 201.032401 147.5
[M+CH3COO]- 215.048051 176.5
[M+Na-2H]- 177.008866 134.0
[M]+ 156.03365142 130.6
[M]- 156.03474858 130.6
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