CID 2737047

1-(2,4-difluorophenyl)biguanide hydrochloride

Structural Information

Molecular Formula
C8H9F2N5
SMILES
C1=CC(=C(C=C1F)F)N=C(N)N=C(N)N
InChI
InChI=1S/C8H9F2N5/c9-4-1-2-6(5(10)3-4)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15)
InChIKey
AKYXEMYENQTFQJ-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-2-(2,4-difluorophenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

60
Patents

213.0826 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08988 142.9
[M+Na]+ 236.07182 149.6
[M-H]- 212.07532 145.8
[M+NH4]+ 231.11642 160.7
[M+K]+ 252.04576 147.8
[M+H-H2O]+ 196.07986 133.5
[M+HCOO]- 258.08080 170.1
[M+CH3COO]- 272.09645 202.7
[M+Na-2H]- 234.05727 145.7
[M]+ 213.08205 135.0
[M]- 213.08315 135.0
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