CID 5357139

Nsc71718

Structural Information

Molecular Formula
C11H13FN4
SMILES
C1CC1/C(=N/N=C(N)N)/C2=CC=C(C=C2)F
InChI
InChI=1S/C11H13FN4/c12-9-5-3-8(4-6-9)10(7-1-2-7)15-16-11(13)14/h3-7H,1-2H2,(H4,13,14,16)/b15-10-
InChIKey
LNAQGHRFQOUMMN-GDNBJRDFSA-N
Compound name
2-[(Z)-[cyclopropyl-(4-fluorophenyl)methylidene]amino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.11243 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11971 141.1
[M+Na]+ 243.10165 148.3
[M-H]- 219.10515 149.1
[M+NH4]+ 238.14625 154.3
[M+K]+ 259.07559 144.8
[M+H-H2O]+ 203.10969 132.7
[M+HCOO]- 265.11063 168.8
[M+CH3COO]- 279.12628 204.5
[M+Na-2H]- 241.08710 145.8
[M]+ 220.11188 138.6
[M]- 220.11298 138.6
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

No patent data available for this compound.