CID 1549311

1-(4-fluorophenyl)guanidine carbonate

Structural Information

Molecular Formula
C7H8FN3
SMILES
C1=CC(=CC=C1N=C(N)N)F
InChI
InChI=1S/C7H8FN3/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H,(H4,9,10,11)
InChIKey
STTLMODNENPLQQ-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

142
Patents

153.07022 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.07750 128.6
[M+Na]+ 176.05944 135.8
[M-H]- 152.06294 131.8
[M+NH4]+ 171.10404 149.0
[M+K]+ 192.03338 133.9
[M+H-H2O]+ 136.06748 121.3
[M+HCOO]- 198.06842 155.3
[M+CH3COO]- 212.08407 184.4
[M+Na-2H]- 174.04489 134.5
[M]+ 153.06967 123.2
[M]- 153.07077 123.2
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