CID 9514

N'-(4-fluorophenyl)-n,n-dimethylurea

Structural Information

Molecular Formula
C9H11FN2O
SMILES
CN(C)C(=O)NC1=CC=C(C=C1)F
InChI
InChI=1S/C9H11FN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)
InChIKey
GNIZUUCYAIPGKZ-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

182.08554 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.09282 137.3
[M+Na]+ 205.07476 144.3
[M-H]- 181.07826 141.3
[M+NH4]+ 200.11936 157.4
[M+K]+ 221.04870 143.7
[M+H-H2O]+ 165.08280 129.9
[M+HCOO]- 227.08374 162.8
[M+CH3COO]- 241.09939 189.0
[M+Na-2H]- 203.06021 142.7
[M]+ 182.08499 136.1
[M]- 182.08609 136.1
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