CID 79542224

1798728-30-9

Structural Information

Molecular Formula
C11H13FN4
SMILES
CCC1=C(N=NN1CC2=CC=C(C=C2)F)N
InChI
InChI=1S/C11H13FN4/c1-2-10-11(13)14-15-16(10)7-8-3-5-9(12)6-4-8/h3-6H,2,7,13H2,1H3
InChIKey
JPWABNTZRKEQPZ-UHFFFAOYSA-N
Compound name
5-ethyl-1-[(4-fluorophenyl)methyl]triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

220.11243 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11971 148.3
[M+Na]+ 243.10165 160.6
[M+NH4]+ 238.14625 155.1
[M+K]+ 259.07559 156.0
[M-H]- 219.10515 149.6
[M+Na-2H]- 241.08710 155.2
[M]+ 220.11188 150.2
[M]- 220.11298 150.2
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

No patent data available for this compound.