CID 13103692

4-chloro-3-methoxyaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1219
Patents

157.02943 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.03671 127.2
[M+Na]+ 180.01865 141.2
[M+NH4]+ 175.06325 136.8
[M+K]+ 195.99259 134.3
[M-H]- 156.02215 130.4
[M+Na-2H]- 178.00410 135.1
[M]+ 157.02888 130.4
[M]- 157.02998 130.4
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

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