CID 79542019

5-methyl-1-{[4-(trifluoromethyl)phenyl]methyl}-1h-1,2,3-triazol-4-amine

Structural Information

Molecular Formula
C11H11F3N4
SMILES
CC1=C(N=NN1CC2=CC=C(C=C2)C(F)(F)F)N
InChI
InChI=1S/C11H11F3N4/c1-7-10(15)16-17-18(7)6-8-2-4-9(5-3-8)11(12,13)14/h2-5H,6,15H2,1H3
InChIKey
MJUIRVCPINOZIB-UHFFFAOYSA-N
Compound name
5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

256.09357 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10085 154.1
[M+Na]+ 279.08279 164.6
[M-H]- 255.08629 153.5
[M+NH4]+ 274.12739 168.7
[M+K]+ 295.05673 159.6
[M+H-H2O]+ 239.09083 143.1
[M+HCOO]- 301.09177 171.9
[M+CH3COO]- 315.10742 196.6
[M+Na-2H]- 277.06824 157.4
[M]+ 256.09302 150.1
[M]- 256.09412 150.1
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

patents stripe