CID 2736618

3-chloro-2-methoxy-5-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C7H5ClF3NO
SMILES
COC1=C(C=C(C=N1)C(F)(F)F)Cl
InChI
InChI=1S/C7H5ClF3NO/c1-13-6-5(8)2-4(3-12-6)7(9,10)11/h2-3H,1H3
InChIKey
ZRRBUQUZQJTWRO-UHFFFAOYSA-N
Compound name
3-chloro-2-methoxy-5-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

211.00117 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.00845 134.5
[M+Na]+ 233.99039 146.0
[M-H]- 209.99389 133.5
[M+NH4]+ 229.03499 153.3
[M+K]+ 249.96433 142.2
[M+H-H2O]+ 193.99843 126.9
[M+HCOO]- 255.99937 149.3
[M+CH3COO]- 270.01502 184.0
[M+Na-2H]- 231.97584 140.9
[M]+ 211.00062 134.2
[M]- 211.00172 134.2
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