CID 132371386

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

Structural Information

Molecular Formula
C3H2BrF2N3
SMILES
C1=NC(=NN1C(F)F)Br
InChI
InChI=1S/C3H2BrF2N3/c4-2-7-1-9(8-2)3(5)6/h1,3H
InChIKey
FHOLCYBOSNUNQG-UHFFFAOYSA-N
Compound name
3-bromo-1-(difluoromethyl)-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.94002 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.94730 127.2
[M+Na]+ 219.92924 141.2
[M-H]- 195.93274 127.9
[M+NH4]+ 214.97384 148.2
[M+K]+ 235.90318 131.3
[M+H-H2O]+ 179.93728 124.8
[M+HCOO]- 241.93822 145.4
[M+CH3COO]- 255.95387 179.9
[M+Na-2H]- 217.91469 134.2
[M]+ 196.93947 143.5
[M]- 196.94057 143.5
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.