CID 66545119

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

Structural Information

Molecular Formula
C9H7F3INO2
SMILES
CC(=O)NC1=C(C=C(C=C1)I)OC(F)(F)F
InChI
InChI=1S/C9H7F3INO2/c1-5(15)14-7-3-2-6(13)4-8(7)16-9(10,11)12/h2-4H,1H3,(H,14,15)
InChIKey
VKFCCXQAJIOELL-UHFFFAOYSA-N
Compound name
N-[4-iodo-2-(trifluoromethoxy)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

344.94736 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.95464 156.8
[M+Na]+ 367.93658 158.4
[M-H]- 343.94008 150.2
[M+NH4]+ 362.98118 169.6
[M+K]+ 383.91052 162.0
[M+H-H2O]+ 327.94462 145.0
[M+HCOO]- 389.94556 171.9
[M+CH3COO]- 403.96121 200.5
[M+Na-2H]- 365.92203 148.9
[M]+ 344.94681 151.6
[M]- 344.94791 151.6
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