CID 2730198

242475-27-0

Structural Information

Molecular Formula
C8H9F2N5
SMILES
C1=CC(=C(C(=C1)F)N=C(N)N=C(N)N)F
InChI
InChI=1S/C8H9F2N5/c9-4-2-1-3-5(10)6(4)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15)
InChIKey
ZVASOCGASDVJTH-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-2-(2,6-difluorophenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

213.0826 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08988 142.9
[M+Na]+ 236.07182 149.6
[M-H]- 212.07532 145.8
[M+NH4]+ 231.11642 160.7
[M+K]+ 252.04576 147.8
[M+H-H2O]+ 196.07986 133.5
[M+HCOO]- 258.08080 170.1
[M+CH3COO]- 272.09645 202.7
[M+Na-2H]- 234.05727 145.7
[M]+ 213.08205 135.0
[M]- 213.08315 135.0
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