CID 67041835

4-chloro-3,5-dimethoxyaniline

Structural Information

Molecular Formula
C8H10ClNO2
SMILES
COC1=CC(=CC(=C1Cl)OC)N
InChI
InChI=1S/C8H10ClNO2/c1-11-6-3-5(10)4-7(12-2)8(6)9/h3-4H,10H2,1-2H3
InChIKey
SGDVJEPMJMYMEV-UHFFFAOYSA-N
Compound name
4-chloro-3,5-dimethoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

187.04001 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.04729 135.4
[M+Na]+ 210.02923 145.9
[M-H]- 186.03273 139.4
[M+NH4]+ 205.07383 156.3
[M+K]+ 226.00317 142.9
[M+H-H2O]+ 170.03727 130.9
[M+HCOO]- 232.03821 156.6
[M+CH3COO]- 246.05386 183.8
[M+Na-2H]- 208.01468 140.8
[M]+ 187.03946 139.2
[M]- 187.04056 139.2
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