CID 165690277

5-fluoro-1-{[2-(trimethylsilyl)ethoxy]methyl}-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C10H17FN2O2Si
SMILES
C[Si](C)(C)CCOCN1C(=C(C=N1)C=O)F
InChI
InChI=1S/C10H17FN2O2Si/c1-16(2,3)5-4-15-8-13-10(11)9(7-14)6-12-13/h6-7H,4-5,8H2,1-3H3
InChIKey
IGBFAEFXNFERIB-UHFFFAOYSA-N
Compound name
5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.10434 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11162 153.1
[M+Na]+ 267.09356 162.0
[M-H]- 243.09706 152.8
[M+NH4]+ 262.13816 170.8
[M+K]+ 283.06750 160.1
[M+H-H2O]+ 227.10160 145.4
[M+HCOO]- 289.10254 173.0
[M+CH3COO]- 303.11819 191.4
[M+Na-2H]- 265.07901 156.5
[M]+ 244.10379 156.7
[M]- 244.10489 156.7
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.