CID 43121125

[4-(3,5-dimethyl-1h-pyrazol-1-yl)-3-fluorophenyl]methanol hydrochloride

Structural Information

Molecular Formula
C12H13FN2O
SMILES
CC1=CC(=NN1C2=C(C=C(C=C2)CO)F)C
InChI
InChI=1S/C12H13FN2O/c1-8-5-9(2)15(14-8)12-4-3-10(7-16)6-11(12)13/h3-6,16H,7H2,1-2H3
InChIKey
NMGDPIAUYJXZHX-UHFFFAOYSA-N
Compound name
[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.1012 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.10848 146.7
[M+Na]+ 243.09042 157.5
[M-H]- 219.09392 149.3
[M+NH4]+ 238.13502 164.4
[M+K]+ 259.06436 153.1
[M+H-H2O]+ 203.09846 138.5
[M+HCOO]- 265.09940 167.6
[M+CH3COO]- 279.11505 188.0
[M+Na-2H]- 241.07587 149.4
[M]+ 220.10065 147.0
[M]- 220.10175 147.0
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.