CID 53242244

4-(4-ethyl-1h-1,2,3-triazol-1-yl)-2-fluoroaniline

Structural Information

Molecular Formula
C10H11FN4
SMILES
CCC1=CN(N=N1)C2=CC(=C(C=C2)N)F
InChI
InChI=1S/C10H11FN4/c1-2-7-6-15(14-13-7)8-3-4-10(12)9(11)5-8/h3-6H,2,12H2,1H3
InChIKey
XJVFPQFPRSBRLW-UHFFFAOYSA-N
Compound name
4-(4-ethyltriazol-1-yl)-2-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.09677 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10405 143.2
[M+Na]+ 229.08599 153.6
[M-H]- 205.08949 145.1
[M+NH4]+ 224.13059 159.9
[M+K]+ 245.05993 149.4
[M+H-H2O]+ 189.09403 133.6
[M+HCOO]- 251.09497 165.1
[M+CH3COO]- 265.11062 155.9
[M+Na-2H]- 227.07144 147.5
[M]+ 206.09622 141.7
[M]- 206.09732 141.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.