CID 28970754

[(3-fluorophenyl)methyl]urea

Structural Information

Molecular Formula
C8H9FN2O
SMILES
C1=CC(=CC(=C1)F)CNC(=O)N
InChI
InChI=1S/C8H9FN2O/c9-7-3-1-2-6(4-7)5-11-8(10)12/h1-4H,5H2,(H3,10,11,12)
InChIKey
KMDBYQHBKWOBMN-UHFFFAOYSA-N
Compound name
(3-fluorophenyl)methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

168.06989 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07717 132.7
[M+Na]+ 191.05911 139.8
[M-H]- 167.06261 134.8
[M+NH4]+ 186.10371 152.3
[M+K]+ 207.03305 137.6
[M+H-H2O]+ 151.06715 125.6
[M+HCOO]- 213.06809 157.3
[M+CH3COO]- 227.08374 182.5
[M+Na-2H]- 189.04456 138.3
[M]+ 168.06934 128.9
[M]- 168.07044 128.9
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