CID 16220818

1-[2-(2-fluorophenyl)ethyl]guanidine hydrochloride

Structural Information

Molecular Formula
C9H12FN3
SMILES
C1=CC=C(C(=C1)CCN=C(N)N)F
InChI
InChI=1S/C9H12FN3/c10-8-4-2-1-3-7(8)5-6-13-9(11)12/h1-4H,5-6H2,(H4,11,12,13)
InChIKey
SRLCZIOCYDTUFO-UHFFFAOYSA-N
Compound name
2-[2-(2-fluorophenyl)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

181.10153 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.10881 137.8
[M+Na]+ 204.09075 144.1
[M-H]- 180.09425 140.5
[M+NH4]+ 199.13535 157.0
[M+K]+ 220.06469 141.8
[M+H-H2O]+ 164.09879 130.0
[M+HCOO]- 226.09973 163.8
[M+CH3COO]- 240.11538 190.5
[M+Na-2H]- 202.07620 142.6
[M]+ 181.10098 133.1
[M]- 181.10208 133.1
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