CID 11769652

6-amino-2,4-dichloro-3-ethylphenol

Structural Information

Molecular Formula
C8H9Cl2NO
SMILES
CCC1=C(C=C(C(=C1Cl)O)N)Cl
InChI
InChI=1S/C8H9Cl2NO/c1-2-4-5(9)3-6(11)8(12)7(4)10/h3,12H,2,11H2,1H3
InChIKey
QMRQXLFENCRBNZ-UHFFFAOYSA-N
Compound name
6-amino-2,4-dichloro-3-ethylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

141
Patents

205.00612 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.013396 139.0
[M+Na]+ 227.995338 150.4
[M-H]- 203.998844 141.2
[M+NH4]+ 223.039943 159.2
[M+K]+ 243.969278 144.5
[M+H-H2O]+ 188.003380 136.2
[M+HCOO]- 250.004321 153.3
[M+CH3COO]- 264.019971 185.2
[M+Na-2H]- 225.980786 142.4
[M]+ 205.00557142 140.9
[M]- 205.00666858 140.9
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