CID 14285353

2-iodo-n-(2-phenylethyl)acetamide

Structural Information

Molecular Formula
C10H12INO
SMILES
C1=CC=C(C=C1)CCNC(=O)CI
InChI
InChI=1S/C10H12INO/c11-8-10(13)12-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
InChIKey
AAPOELDYPINJTH-UHFFFAOYSA-N
Compound name
2-iodo-N-(2-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

288.99637 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.00365 153.0
[M+Na]+ 311.98559 151.8
[M-H]- 287.98909 149.1
[M+NH4]+ 307.03019 167.4
[M+K]+ 327.95953 155.5
[M+H-H2O]+ 271.99363 142.9
[M+HCOO]- 333.99457 172.0
[M+CH3COO]- 348.01022 191.7
[M+Na-2H]- 309.97104 146.5
[M]+ 288.99582 149.9
[M]- 288.99692 149.9
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