CID 81906519

1-(5-amino-2-fluorophenyl)-3-methylurea

Structural Information

Molecular Formula
C8H10FN3O
SMILES
CNC(=O)NC1=C(C=CC(=C1)N)F
InChI
InChI=1S/C8H10FN3O/c1-11-8(13)12-7-4-5(10)2-3-6(7)9/h2-4H,10H2,1H3,(H2,11,12,13)
InChIKey
OTAJRESAGDFPLW-UHFFFAOYSA-N
Compound name
1-(5-amino-2-fluorophenyl)-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.0808 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.08808 136.6
[M+Na]+ 206.07002 143.9
[M-H]- 182.07352 139.1
[M+NH4]+ 201.11462 155.7
[M+K]+ 222.04396 141.8
[M+H-H2O]+ 166.07806 129.3
[M+HCOO]- 228.07900 162.3
[M+CH3COO]- 242.09465 188.3
[M+Na-2H]- 204.05547 141.8
[M]+ 183.08025 132.4
[M]- 183.08135 132.4
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

No patent data available for this compound.