CID 138110427

(6-(trifluoromethyl)pyridazin-3-yl)methanol

Structural Information

Molecular Formula
C6H5F3N2O
SMILES
C1=CC(=NN=C1CO)C(F)(F)F
InChI
InChI=1S/C6H5F3N2O/c7-6(8,9)5-2-1-4(3-12)10-11-5/h1-2,12H,3H2
InChIKey
XBLYNHFICSZKSK-UHFFFAOYSA-N
Compound name
[6-(trifluoromethyl)pyridazin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

178.0354 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.042676 131.4
[M+Na]+ 201.024618 141.3
[M-H]- 177.028124 127.6
[M+NH4]+ 196.069223 148.4
[M+K]+ 216.998558 138.5
[M+H-H2O]+ 161.032660 122.5
[M+HCOO]- 223.033601 148.3
[M+CH3COO]- 237.049251 176.1
[M+Na-2H]- 199.010066 138.9
[M]+ 178.03485142 127.1
[M]- 178.03594858 127.1
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

patents stripe