CID 735849

2-chloro-n-(3-chloro-4-fluorophenyl)acetamide

Structural Information

Molecular Formula
C8H6Cl2FNO
SMILES
C1=CC(=C(C=C1NC(=O)CCl)Cl)F
InChI
InChI=1S/C8H6Cl2FNO/c9-4-8(13)12-5-1-2-7(11)6(10)3-5/h1-3H,4H2,(H,12,13)
InChIKey
DJPAQYXQRCWKEH-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-chloro-4-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

220.98105 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.98833 139.4
[M+Na]+ 243.97027 149.5
[M-H]- 219.97377 141.5
[M+NH4]+ 239.01487 159.1
[M+K]+ 259.94421 144.1
[M+H-H2O]+ 203.97831 134.8
[M+HCOO]- 265.97925 154.0
[M+CH3COO]- 279.99490 187.9
[M+Na-2H]- 241.95572 144.0
[M]+ 220.98050 141.0
[M]- 220.98160 141.0
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

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