CID 79542104

1803595-31-4

Structural Information

Molecular Formula
C11H13FN4O
SMILES
CC1=C(N=NN1CCOC2=CC=C(C=C2)F)N
InChI
InChI=1S/C11H13FN4O/c1-8-11(13)14-15-16(8)6-7-17-10-4-2-9(12)3-5-10/h2-5H,6-7,13H2,1H3
InChIKey
BDLXMABXEBPMSH-UHFFFAOYSA-N
Compound name
1-[2-(4-fluorophenoxy)ethyl]-5-methyltriazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

236.10735 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11463 151.6
[M+Na]+ 259.09657 163.4
[M+NH4]+ 254.14117 157.8
[M+K]+ 275.07051 159.4
[M-H]- 235.10007 152.4
[M+Na-2H]- 257.08202 158.0
[M]+ 236.10680 153.2
[M]- 236.10790 153.2
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.