CID 204271

Urea, 1-amidino-3-(p-fluorophenyl)-, monohydrochloride

Structural Information

Molecular Formula
C8H9FN4O
SMILES
C1=CC(=CC=C1NC(=O)N=C(N)N)F
InChI
InChI=1S/C8H9FN4O/c9-5-1-3-6(4-2-5)12-8(14)13-7(10)11/h1-4H,(H5,10,11,12,13,14)
InChIKey
CHKVECBPDZRARH-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-3-(4-fluorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.07603 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.083306 139.6
[M+Na]+ 219.065248 145.7
[M-H]- 195.068754 142.7
[M+NH4]+ 214.109853 157.8
[M+K]+ 235.039188 144.1
[M+H-H2O]+ 179.073290 131.5
[M+HCOO]- 241.074231 166.4
[M+CH3COO]- 255.089881 193.7
[M+Na-2H]- 217.050696 144.0
[M]+ 196.07548142 133.7
[M]- 196.07657858 133.7
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

No patent data available for this compound.