CID 6485749

3-chloro-4-(2-methoxyethoxy)aniline

Structural Information

Molecular Formula
C9H12ClNO2
SMILES
COCCOC1=C(C=C(C=C1)N)Cl
InChI
InChI=1S/C9H12ClNO2/c1-12-4-5-13-9-3-2-7(11)6-8(9)10/h2-3,6H,4-5,11H2,1H3
InChIKey
XHJPYZKZJFXXDY-UHFFFAOYSA-N
Compound name
3-chloro-4-(2-methoxyethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

201.05565 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.06293 139.4
[M+Na]+ 224.04487 152.4
[M+NH4]+ 219.08947 148.1
[M+K]+ 240.01881 145.6
[M-H]- 200.04837 142.0
[M+Na-2H]- 222.03032 146.2
[M]+ 201.05510 142.2
[M]- 201.05620 142.2
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