CID 12805

704-98-3

Structural Information

Molecular Formula
C8H10FN3
SMILES
C1=CC=C(C(=C1)CN=C(N)N)F
InChI
InChI=1S/C8H10FN3/c9-7-4-2-1-3-6(7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)
InChIKey
CIJGQASJMHPZNY-UHFFFAOYSA-N
Compound name
2-[(2-fluorophenyl)methyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

167.08588 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.09316 133.2
[M+Na]+ 190.07510 140.0
[M-H]- 166.07860 136.2
[M+NH4]+ 185.11970 153.0
[M+K]+ 206.04904 137.9
[M+H-H2O]+ 150.08314 125.7
[M+HCOO]- 212.08408 159.5
[M+CH3COO]- 226.09973 187.5
[M+Na-2H]- 188.06055 138.6
[M]+ 167.08533 128.2
[M]- 167.08643 128.2
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