CID 3043990

Urea, n-(aminoiminomethyl)-n'-(2-chloro-6-fluorophenyl)-, monohydrochloride

Structural Information

Molecular Formula
C8H8ClFN4O
SMILES
C1=CC(=C(C(=C1)Cl)NC(=O)N=C(N)N)F
InChI
InChI=1S/C8H8ClFN4O/c9-4-2-1-3-5(10)6(4)13-8(15)14-7(11)12/h1-3H,(H5,11,12,13,14,15)
InChIKey
OXFPIUXTFWKNRQ-UHFFFAOYSA-N
Compound name
1-(2-chloro-6-fluorophenyl)-3-(diaminomethylidene)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

230.03706 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04434 143.4
[M+Na]+ 253.02628 151.8
[M+NH4]+ 248.07088 149.7
[M+K]+ 269.00022 147.5
[M-H]- 229.02978 144.9
[M+Na-2H]- 251.01173 148.3
[M]+ 230.03651 144.7
[M]- 230.03761 144.7
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

patents stripe