CID 18543362

3-chloro-2,4-dimethoxyaniline

Structural Information

Molecular Formula
C8H10ClNO2
SMILES
COC1=C(C(=C(C=C1)N)OC)Cl
InChI
InChI=1S/C8H10ClNO2/c1-11-6-4-3-5(10)8(12-2)7(6)9/h3-4H,10H2,1-2H3
InChIKey
BEZGHDRLDURVRK-UHFFFAOYSA-N
Compound name
3-chloro-2,4-dimethoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

187.04001 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.047286 135.4
[M+Na]+ 210.029228 145.9
[M-H]- 186.032734 139.4
[M+NH4]+ 205.073833 156.3
[M+K]+ 226.003168 142.9
[M+H-H2O]+ 170.037270 130.9
[M+HCOO]- 232.038211 156.6
[M+CH3COO]- 246.053861 183.8
[M+Na-2H]- 208.014676 140.8
[M]+ 187.03946142 139.2
[M]- 187.04055858 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