CID 6145

1-phenylurea

Structural Information

Molecular Formula
C7H8N2O
SMILES
C1=CC=C(C=C1)NC(=O)N
InChI
InChI=1S/C7H8N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
InChIKey
LUBJCRLGQSPQNN-UHFFFAOYSA-N
Compound name
phenylurea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1263
References

26171
Patents

136.06366 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 126.6
[M+Na]+ 159.05288 137.4
[M+NH4]+ 154.09748 135.0
[M+K]+ 175.02682 132.0
[M-H]- 135.05638 129.4
[M+Na-2H]- 157.03833 133.8
[M]+ 136.06311 128.6
[M]- 136.06421 128.6
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