CID 16074346

1h-1,2,3-triazole, 4-(difluoromethyl)-1-(4-methylphenyl)-

Structural Information

Molecular Formula
C10H9F2N3
SMILES
CC1=CC=C(C=C1)N2C=C(N=N2)C(F)F
InChI
InChI=1S/C10H9F2N3/c1-7-2-4-8(5-3-7)15-6-9(10(11)12)13-14-15/h2-6,10H,1H3
InChIKey
OZVOGVGISOQABN-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)-1-(4-methylphenyl)triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

209.07645 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.08373 141.1
[M+Na]+ 232.06567 151.2
[M-H]- 208.06917 141.8
[M+NH4]+ 227.11027 157.7
[M+K]+ 248.03961 147.5
[M+H-H2O]+ 192.07371 130.6
[M+HCOO]- 254.07465 160.5
[M+CH3COO]- 268.09030 186.7
[M+Na-2H]- 230.05112 144.9
[M]+ 209.07590 139.2
[M]- 209.07700 139.2
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

patents stripe