CID 170224

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

Structural Information

Molecular Formula
C7H7Cl2NO
SMILES
CC1=C(C=C(C(=C1Cl)O)N)Cl
InChI
InChI=1S/C7H7Cl2NO/c1-3-4(8)2-5(10)7(11)6(3)9/h2,11H,10H2,1H3
InChIKey
QDOGSLSGLUTSQL-UHFFFAOYSA-N
Compound name
6-amino-2,4-dichloro-3-methylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

214
Patents

190.99046 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.99774 133.5
[M+Na]+ 213.97968 148.0
[M+NH4]+ 209.02428 142.7
[M+K]+ 229.95362 141.1
[M-H]- 189.98318 136.0
[M+Na-2H]- 211.96513 140.2
[M]+ 190.98991 136.9
[M]- 190.99101 136.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe