CID 75460

2401-24-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1150
Patents

157.02943 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.03671 128.1
[M+Na]+ 180.01865 138.2
[M-H]- 156.02215 132.0
[M+NH4]+ 175.06325 150.0
[M+K]+ 195.99259 134.9
[M+H-H2O]+ 140.02669 123.9
[M+HCOO]- 202.02763 149.5
[M+CH3COO]- 216.04328 177.5
[M+Na-2H]- 178.00410 134.8
[M]+ 157.02888 129.7
[M]- 157.02998 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

literature stripe

Patent stripe

patents stripe