CID 33987

Brn 2763515

Structural Information

Molecular Formula
C16H13Cl2NO3
SMILES
C1=CC=C(C=C1)C(=O)C(NC2=CC=C(C=C2)C(=O)C(Cl)Cl)O
InChI
InChI=1S/C16H13Cl2NO3/c17-15(18)13(20)11-6-8-12(9-7-11)19-16(22)14(21)10-4-2-1-3-5-10/h1-9,15-16,19,22H
InChIKey
IWTKMHCTHPHYJE-UHFFFAOYSA-N
Compound name
2-[4-(2,2-dichloroacetyl)anilino]-2-hydroxy-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.02725 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.03453 170.5
[M+Na]+ 360.01647 176.4
[M-H]- 336.01997 175.0
[M+NH4]+ 355.06107 183.8
[M+K]+ 375.99041 170.7
[M+H-H2O]+ 320.02451 164.8
[M+HCOO]- 382.02545 181.5
[M+CH3COO]- 396.04110 207.6
[M+Na-2H]- 358.00192 171.2
[M]+ 337.02670 172.6
[M]- 337.02780 172.6
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.