CID 2769342

97760-98-0

Structural Information

Molecular Formula
C9H7F3INO
SMILES
CC(=O)NC1=C(C=C(C=C1)I)C(F)(F)F
InChI
InChI=1S/C9H7F3INO/c1-5(15)14-8-3-2-6(13)4-7(8)9(10,11)12/h2-4H,1H3,(H,14,15)
InChIKey
DLROSNQUSLJYBU-UHFFFAOYSA-N
Compound name
N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

328.95245 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.95973 152.4
[M+Na]+ 351.94167 154.1
[M-H]- 327.94517 145.8
[M+NH4]+ 346.98627 165.8
[M+K]+ 367.91561 157.2
[M+H-H2O]+ 311.94971 140.8
[M+HCOO]- 373.95065 167.3
[M+CH3COO]- 387.96630 198.5
[M+Na-2H]- 349.92712 144.5
[M]+ 328.95190 145.8
[M]- 328.95300 145.8
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

patents stripe