CID 27638

Biguanide, 1-(p-fluorophenyl)-, monohydrochloride

Structural Information

Molecular Formula
C8H10FN5
SMILES
C1=CC(=CC=C1N=C(N)N=C(N)N)F
InChI
InChI=1S/C8H10FN5/c9-5-1-3-6(4-2-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
InChIKey
NOLAUIXZGNESCX-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-2-(4-fluorophenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

89
Patents

195.09203 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09931 139.9
[M+Na]+ 218.08125 145.6
[M-H]- 194.08475 143.8
[M+NH4]+ 213.12585 158.2
[M+K]+ 234.05519 144.2
[M+H-H2O]+ 178.08929 131.3
[M+HCOO]- 240.09023 168.2
[M+CH3COO]- 254.10588 198.7
[M+Na-2H]- 216.06670 144.0
[M]+ 195.09148 132.8
[M]- 195.09258 132.8
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