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

17
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 140.3
[M+Na]+ 224.04487 149.5
[M-H]- 200.04837 143.8
[M+NH4]+ 219.08947 160.4
[M+K]+ 240.01881 146.2
[M+H-H2O]+ 184.05291 135.4
[M+HCOO]- 246.05385 161.2
[M+CH3COO]- 260.06950 185.6
[M+Na-2H]- 222.03032 145.9
[M]+ 201.05510 144.1
[M]- 201.05620 144.1
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