CID 63278631

1342661-93-1

Structural Information

Molecular Formula
C10H11FN4
SMILES
CC1=NN(C(=N1)N)CC2=CC=C(C=C2)F
InChI
InChI=1S/C10H11FN4/c1-7-13-10(12)15(14-7)6-8-2-4-9(11)5-3-8/h2-5H,6H2,1H3,(H2,12,13,14)
InChIKey
OBHBNEHOOFEUNX-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.09677 Da
Monoisotopic Mass

1.8
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.