CID 19627211

1006960-98-0

Structural Information

Molecular Formula
C11H12FN3O
SMILES
CN1C=C(C=N1)COC2=C(C=C(C=C2)N)F
InChI
InChI=1S/C11H12FN3O/c1-15-6-8(5-14-15)7-16-11-3-2-9(13)4-10(11)12/h2-6H,7,13H2,1H3
InChIKey
SPOGLMBNECXWBP-UHFFFAOYSA-N
Compound name
3-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.09644 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.10372 146.0
[M+Na]+ 244.08566 155.9
[M-H]- 220.08916 149.2
[M+NH4]+ 239.13026 163.4
[M+K]+ 260.05960 152.1
[M+H-H2O]+ 204.09370 137.0
[M+HCOO]- 266.09464 169.2
[M+CH3COO]- 280.11029 190.6
[M+Na-2H]- 242.07111 149.9
[M]+ 221.09589 145.7
[M]- 221.09699 145.7
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.