CID 12606

(2-fluorophenyl)urea

Structural Information

Molecular Formula
C7H7FN2O
SMILES
C1=CC=C(C(=C1)NC(=O)N)F
InChI
InChI=1S/C7H7FN2O/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKey
PAWVOCWEWJXILY-UHFFFAOYSA-N
Compound name
(2-fluorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

423
Patents

154.05424 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.06152 128.0
[M+Na]+ 177.04346 135.6
[M-H]- 153.04696 130.3
[M+NH4]+ 172.08806 148.3
[M+K]+ 193.01740 133.7
[M+H-H2O]+ 137.05150 121.2
[M+HCOO]- 199.05244 153.0
[M+CH3COO]- 213.06809 179.5
[M+Na-2H]- 175.02891 134.2
[M]+ 154.05369 123.9
[M]- 154.05479 123.9
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