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

22
Patents

175.02002 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.02730 129.0
[M+Na]+ 198.00924 139.9
[M-H]- 174.01274 130.4
[M+NH4]+ 193.05384 149.3
[M+K]+ 213.98318 136.6
[M+H-H2O]+ 158.01728 122.8
[M+HCOO]- 220.01822 147.5
[M+CH3COO]- 234.03387 178.8
[M+Na-2H]- 195.99469 136.0
[M]+ 175.01947 131.6
[M]- 175.02057 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