CID 57080327

1-[(2-fluorophenyl)methyl]-1h-pyrazole

Structural Information

Molecular Formula
C10H9FN2
SMILES
C1=CC=C(C(=C1)CN2C=CC=N2)F
InChI
InChI=1S/C10H9FN2/c11-10-5-2-1-4-9(10)8-13-7-3-6-12-13/h1-7H,8H2
InChIKey
NMHBGWLSYYPGTP-UHFFFAOYSA-N
Compound name
1-[(2-fluorophenyl)methyl]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

176.07498 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.082256 133.8
[M+Na]+ 199.064198 143.2
[M-H]- 175.067704 136.8
[M+NH4]+ 194.108803 153.0
[M+K]+ 215.038138 139.8
[M+H-H2O]+ 159.072240 124.9
[M+HCOO]- 221.073181 156.7
[M+CH3COO]- 235.088831 147.4
[M+Na-2H]- 197.049646 140.2
[M]+ 176.07443142 132.6
[M]- 176.07552858 132.6
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

patents stripe