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]+ 182.108806 137.8
[M+Na]+ 204.090748 144.1
[M-H]- 180.094254 140.5
[M+NH4]+ 199.135353 157.0
[M+K]+ 220.064688 141.8
[M+H-H2O]+ 164.098790 130.0
[M+HCOO]- 226.099731 163.8
[M+CH3COO]- 240.115381 190.5
[M+Na-2H]- 202.076196 142.6
[M]+ 181.10098142 133.1
[M]- 181.10207858 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