CID 103689372

3-(chloromethyl)-5-fluoro-2-methoxypyridine

Structural Information

Molecular Formula
C7H7ClFNO
SMILES
COC1=C(C=C(C=N1)F)CCl
InChI
InChI=1S/C7H7ClFNO/c1-11-7-5(3-8)2-6(9)4-10-7/h2,4H,3H2,1H3
InChIKey
PJKUEKSQDKXAON-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-5-fluoro-2-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

175.02002 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.027296 129.0
[M+Na]+ 198.009238 139.9
[M-H]- 174.012744 130.4
[M+NH4]+ 193.053843 149.3
[M+K]+ 213.983178 136.6
[M+H-H2O]+ 158.017280 122.8
[M+HCOO]- 220.018221 147.5
[M+CH3COO]- 234.033871 178.8
[M+Na-2H]- 195.994686 136.0
[M]+ 175.01947142 131.6
[M]- 175.02056858 131.6
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