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

251
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 134.4
[M+Na]+ 213.97968 146.1
[M-H]- 189.98318 136.7
[M+NH4]+ 209.02428 155.1
[M+K]+ 229.95362 140.5
[M+H-H2O]+ 173.98772 131.8
[M+HCOO]- 235.98866 149.0
[M+CH3COO]- 250.00431 182.2
[M+Na-2H]- 211.96513 138.2
[M]+ 190.98991 135.8
[M]- 190.99101 135.8
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

No patent data available for this compound.