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]+ 197.08331 139.6
[M+Na]+ 219.06525 145.7
[M-H]- 195.06875 142.7
[M+NH4]+ 214.10985 157.8
[M+K]+ 235.03919 144.1
[M+H-H2O]+ 179.07329 131.5
[M+HCOO]- 241.07423 166.4
[M+CH3COO]- 255.08988 193.7
[M+Na-2H]- 217.05070 144.0
[M]+ 196.07548 133.7
[M]- 196.07658 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.