CID 10351938

2-chloro-6-methoxyaniline

Structural Information

Molecular Formula
C7H8ClNO
SMILES
COC1=C(C(=CC=C1)Cl)N
InChI
InChI=1S/C7H8ClNO/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,9H2,1H3
InChIKey
SEZKSJHQUIRBCN-UHFFFAOYSA-N
Compound name
2-chloro-6-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

157.02943 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.036706 128.1
[M+Na]+ 180.018648 138.2
[M-H]- 156.022154 132.0
[M+NH4]+ 175.063253 150.0
[M+K]+ 195.992588 134.9
[M+H-H2O]+ 140.026690 123.9
[M+HCOO]- 202.027631 149.5
[M+CH3COO]- 216.043281 177.5
[M+Na-2H]- 178.004096 134.8
[M]+ 157.02888142 129.7
[M]- 157.02997858 129.7
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

patents stripe