CID 82508

3-chloro-5-methoxyaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

251
Patents

157.02943 Da
Monoisotopic Mass

2.5
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

No literature data available for this compound.

Patent stripe

patents stripe