CID 2729955

915071-41-9

Structural Information

Molecular Formula
C8H9ClFN5
SMILES
C1=CC(=C(C=C1N=C(N)N=C(N)N)Cl)F
InChI
InChI=1S/C8H9ClFN5/c9-5-3-4(1-2-6(5)10)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15)
InChIKey
WEVBBIBQCXPDKL-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-fluorophenyl)-1-(diaminomethylidene)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

40
Patents

229.05305 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.06033 149.5
[M+Na]+ 252.04227 156.9
[M-H]- 228.04577 153.6
[M+NH4]+ 247.08687 167.6
[M+K]+ 268.01621 153.5
[M+H-H2O]+ 212.05031 142.2
[M+HCOO]- 274.05125 173.3
[M+CH3COO]- 288.06690 203.6
[M+Na-2H]- 250.02772 152.1
[M]+ 229.05250 145.0
[M]- 229.05360 145.0
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