CID 63385772

1339607-06-5

Structural Information

Molecular Formula
C10H8ClF2N3
SMILES
CC1=NN=C(N1CC2=C(C=C(C=C2)F)F)Cl
InChI
InChI=1S/C10H8ClF2N3/c1-6-14-15-10(11)16(6)5-7-2-3-8(12)4-9(7)13/h2-4H,5H2,1H3
InChIKey
ZKKZTLSNZRMYDD-UHFFFAOYSA-N
Compound name
3-chloro-4-[(2,4-difluorophenyl)methyl]-5-methyl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.03748 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.04476 146.9
[M+Na]+ 266.02670 159.7
[M-H]- 242.03020 147.7
[M+NH4]+ 261.07130 163.5
[M+K]+ 282.00064 153.7
[M+H-H2O]+ 226.03474 136.9
[M+HCOO]- 288.03568 162.4
[M+CH3COO]- 302.05133 159.6
[M+Na-2H]- 264.01215 149.7
[M]+ 243.03693 148.1
[M]- 243.03803 148.1
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

No patent data available for this compound.