CID 137965930

2230804-27-8

Structural Information

Molecular Formula
C6H7ClF2N4
SMILES
C1CN2C(=NN=C2C(F)(F)Cl)CN1
InChI
InChI=1S/C6H7ClF2N4/c7-6(8,9)5-12-11-4-3-10-1-2-13(4)5/h10H,1-3H2
InChIKey
OEXNHQSEWBKTSM-UHFFFAOYSA-N
Compound name
3-[chloro(difluoro)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.03273 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04001 140.5
[M+Na]+ 231.02195 150.2
[M-H]- 207.02545 135.3
[M+NH4]+ 226.06655 156.8
[M+K]+ 246.99589 145.3
[M+H-H2O]+ 191.02999 131.0
[M+HCOO]- 253.03093 148.4
[M+CH3COO]- 267.04658 151.0
[M+Na-2H]- 229.00740 146.2
[M]+ 208.03218 135.6
[M]- 208.03328 135.6
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.