CID 2736416

N-[4-bromo-2-(trifluoromethoxy)phenyl]acetamide

Structural Information

Molecular Formula
C9H7BrF3NO2
SMILES
CC(=O)NC1=C(C=C(C=C1)Br)OC(F)(F)F
InChI
InChI=1S/C9H7BrF3NO2/c1-5(15)14-7-3-2-6(10)4-8(7)16-9(11,12)13/h2-4H,1H3,(H,14,15)
InChIKey
SHHWWZMWTUTJPY-UHFFFAOYSA-N
Compound name
N-[4-bromo-2-(trifluoromethoxy)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

296.96124 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.96852 155.6
[M+Na]+ 319.95046 167.3
[M-H]- 295.95396 158.4
[M+NH4]+ 314.99506 174.4
[M+K]+ 335.92440 155.9
[M+H-H2O]+ 279.95850 152.7
[M+HCOO]- 341.95944 173.4
[M+CH3COO]- 355.97509 199.1
[M+Na-2H]- 317.93591 160.7
[M]+ 296.96069 171.1
[M]- 296.96179 171.1
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

patents stripe