CID 33988

Brn 2769082

Structural Information

Molecular Formula
C17H15Cl2NO3
SMILES
CC1=CC=C(C=C1)C(=O)C(NC2=CC=C(C=C2)C(=O)C(Cl)Cl)O
InChI
InChI=1S/C17H15Cl2NO3/c1-10-2-4-12(5-3-10)15(22)17(23)20-13-8-6-11(7-9-13)14(21)16(18)19/h2-9,16-17,20,23H,1H3
InChIKey
PCQSVTKIGRBLJM-UHFFFAOYSA-N
Compound name
2-[4-(2,2-dichloroacetyl)anilino]-2-hydroxy-1-(4-methylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.0429 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.05018 174.7
[M+Na]+ 374.03212 181.1
[M-H]- 350.03562 179.4
[M+NH4]+ 369.07672 187.7
[M+K]+ 390.00606 175.3
[M+H-H2O]+ 334.04016 169.1
[M+HCOO]- 396.04110 185.4
[M+CH3COO]- 410.05675 211.8
[M+Na-2H]- 372.01757 174.1
[M]+ 351.04235 177.6
[M]- 351.04345 177.6
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.