CID 2774225

(2,4-difluorophenyl)urea

Structural Information

Molecular Formula
C7H6F2N2O
SMILES
C1=CC(=C(C=C1F)F)NC(=O)N
InChI
InChI=1S/C7H6F2N2O/c8-4-1-2-6(5(9)3-4)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKey
SBBRRSKIPTXBCO-UHFFFAOYSA-N
Compound name
(2,4-difluorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

180
Patents

172.04482 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.05210 130.4
[M+Na]+ 195.03404 139.0
[M-H]- 171.03754 131.7
[M+NH4]+ 190.07864 150.2
[M+K]+ 211.00798 136.7
[M+H-H2O]+ 155.04208 122.9
[M+HCOO]- 217.04302 154.4
[M+CH3COO]- 231.05867 183.5
[M+Na-2H]- 193.01949 135.3
[M]+ 172.04427 125.5
[M]- 172.04537 125.5
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