CID 21867173

(3-iodophenyl)urea

Structural Information

Molecular Formula
C7H7IN2O
SMILES
C1=CC(=CC(=C1)I)NC(=O)N
InChI
InChI=1S/C7H7IN2O/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKey
OSCNSMUGOQHBLN-UHFFFAOYSA-N
Compound name
(3-iodophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

261.9603 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.96758 145.8
[M+Na]+ 284.94952 145.9
[M-H]- 260.95302 142.3
[M+NH4]+ 279.99412 160.9
[M+K]+ 300.92346 149.9
[M+H-H2O]+ 244.95756 136.0
[M+HCOO]- 306.95850 166.1
[M+CH3COO]- 320.97415 188.3
[M+Na-2H]- 282.93497 139.2
[M]+ 261.95975 140.3
[M]- 261.96085 140.3
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