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 150.6
[M+Na]+ 259.09657 160.4
[M-H]- 235.10007 152.3
[M+NH4]+ 254.14117 165.9
[M+K]+ 275.07051 156.4
[M+H-H2O]+ 219.10461 140.6
[M+HCOO]- 281.10555 172.4
[M+CH3COO]- 295.12120 193.4
[M+Na-2H]- 257.08202 154.4
[M]+ 236.10680 150.8
[M]- 236.10790 150.8
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.