CID 43232965

N-[4-bromo-3-(trifluoromethyl)phenyl]-2-chloroacetamide

Structural Information

Molecular Formula
C9H6BrClF3NO
SMILES
C1=CC(=C(C=C1NC(=O)CCl)C(F)(F)F)Br
InChI
InChI=1S/C9H6BrClF3NO/c10-7-2-1-5(15-8(16)4-11)3-6(7)9(12,13)14/h1-3H,4H2,(H,15,16)
InChIKey
ZCLINOZPMIUKMQ-UHFFFAOYSA-N
Compound name
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.92734 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.93462 157.0
[M+Na]+ 337.91656 170.0
[M-H]- 313.92006 159.9
[M+NH4]+ 332.96116 176.2
[M+K]+ 353.89050 156.0
[M+H-H2O]+ 297.92460 155.2
[M+HCOO]- 359.92554 170.5
[M+CH3COO]- 373.94119 200.7
[M+Na-2H]- 335.90201 162.0
[M]+ 314.92679 173.3
[M]- 314.92789 173.3
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.