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

20
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 151.8
[M+Na]+ 312.94445 151.7
[M-H]- 288.94795 148.6
[M+NH4]+ 307.98905 165.9
[M+K]+ 328.91839 155.7
[M+H-H2O]+ 272.95249 141.5
[M+HCOO]- 334.95343 172.7
[M+CH3COO]- 348.96908 192.3
[M+Na-2H]- 310.92990 145.7
[M]+ 289.95468 148.2
[M]- 289.95578 148.2
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