CID 7567904

114670-74-5

Structural Information

Molecular Formula
C7H8FN3O
SMILES
C1=CC(=CC(=C1)F)NC(=O)NN
InChI
InChI=1S/C7H8FN3O/c8-5-2-1-3-6(4-5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12)
InChIKey
ZLONJOJMYMIGAX-UHFFFAOYSA-N
Compound name
1-amino-3-(3-fluorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

169.06514 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07242 131.6
[M+Na]+ 192.05436 138.4
[M-H]- 168.05786 133.9
[M+NH4]+ 187.09896 150.9
[M+K]+ 208.02830 136.5
[M+H-H2O]+ 152.06240 124.3
[M+HCOO]- 214.06334 157.7
[M+CH3COO]- 228.07899 184.0
[M+Na-2H]- 190.03981 138.1
[M]+ 169.06459 126.7
[M]- 169.06569 126.7
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