CID 6399823

117500-16-0

Structural Information

Molecular Formula
C8H7IN2O2
SMILES
C1=CC=C(C(=C1)NC(=O)C=NO)I
InChI
InChI=1S/C8H7IN2O2/c9-6-3-1-2-4-7(6)11-8(12)5-10-13/h1-5,13H,(H,11,12)
InChIKey
QOSIKWJYKCKWNU-UHFFFAOYSA-N
Compound name
2-hydroxyimino-N-(2-iodophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

289.95523 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.96251 152.0
[M+Na]+ 312.94445 154.7
[M+NH4]+ 307.98905 154.7
[M+K]+ 328.91839 152.4
[M-H]- 288.94795 147.6
[M+Na-2H]- 310.92990 144.9
[M]+ 289.95468 149.7
[M]- 289.95578 149.7
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