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

121
Patents

205.00612 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.01340 139.0
[M+Na]+ 227.99534 150.4
[M-H]- 203.99884 141.2
[M+NH4]+ 223.03994 159.2
[M+K]+ 243.96928 144.5
[M+H-H2O]+ 188.00338 136.2
[M+HCOO]- 250.00432 153.3
[M+CH3COO]- 264.01997 185.2
[M+Na-2H]- 225.98079 142.4
[M]+ 205.00557 140.9
[M]- 205.00667 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