CID 71756566

[3-(difluoromethyl)-5h,6h,7h,8h-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol

Structural Information

Molecular Formula
C8H11F2N3O
SMILES
C1CC2=NN=C(N2CC1CO)C(F)F
InChI
InChI=1S/C8H11F2N3O/c9-7(10)8-12-11-6-2-1-5(4-14)3-13(6)8/h5,7,14H,1-4H2
InChIKey
BICGQXHESLPYMP-UHFFFAOYSA-N
Compound name
[3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.08702 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.09430 141.5
[M+Na]+ 226.07624 149.9
[M-H]- 202.07974 137.9
[M+NH4]+ 221.12084 158.8
[M+K]+ 242.05018 146.9
[M+H-H2O]+ 186.08428 132.3
[M+HCOO]- 248.08522 155.8
[M+CH3COO]- 262.10087 182.6
[M+Na-2H]- 224.06169 144.4
[M]+ 203.08647 136.8
[M]- 203.08757 136.8
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.