CID 12612

4-fluorophenylurea

Structural Information

Molecular Formula
C7H7FN2O
SMILES
C1=CC(=CC=C1NC(=O)N)F
InChI
InChI=1S/C7H7FN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKey
IQZBVVPYTDHTIP-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

483
Patents

154.05424 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.061516 128.0
[M+Na]+ 177.043458 135.6
[M-H]- 153.046964 130.3
[M+NH4]+ 172.088063 148.3
[M+K]+ 193.017398 133.7
[M+H-H2O]+ 137.051500 121.2
[M+HCOO]- 199.052441 153.0
[M+CH3COO]- 213.068091 179.5
[M+Na-2H]- 175.028906 134.2
[M]+ 154.05369142 123.9
[M]- 154.05478858 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