CID 79516031

[2-fluoro-6-(1h-pyrazol-1-yl)phenyl]methanamine

Structural Information

Molecular Formula
C10H10FN3
SMILES
C1=CC(=C(C(=C1)F)CN)N2C=CC=N2
InChI
InChI=1S/C10H10FN3/c11-9-3-1-4-10(8(9)7-12)14-6-2-5-13-14/h1-6H,7,12H2
InChIKey
ZNXJXCNUSGGPBU-UHFFFAOYSA-N
Compound name
(2-fluoro-6-pyrazol-1-ylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

191.08588 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.09316 138.1
[M+Na]+ 214.07510 147.5
[M-H]- 190.07860 141.0
[M+NH4]+ 209.11970 156.4
[M+K]+ 230.04904 143.5
[M+H-H2O]+ 174.08314 129.1
[M+HCOO]- 236.08408 161.4
[M+CH3COO]- 250.09973 151.2
[M+Na-2H]- 212.06055 143.2
[M]+ 191.08533 135.6
[M]- 191.08643 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

patents stripe