CID 125512615

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

Structural Information

Molecular Formula
C9H7ClF3N
SMILES
C1CC1C2=C(N=CC(=C2)C(F)(F)F)Cl
InChI
InChI=1S/C9H7ClF3N/c10-8-7(5-1-2-5)3-6(4-14-8)9(11,12)13/h3-5H,1-2H2
InChIKey
LSBHPADIGYQFHC-UHFFFAOYSA-N
Compound name
2-chloro-3-cyclopropyl-5-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.02191 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.02919 135.9
[M+Na]+ 244.01113 147.7
[M-H]- 220.01463 138.4
[M+NH4]+ 239.05573 149.3
[M+K]+ 259.98507 142.2
[M+H-H2O]+ 204.01917 126.9
[M+HCOO]- 266.02011 150.5
[M+CH3COO]- 280.03576 189.6
[M+Na-2H]- 241.99658 141.7
[M]+ 221.02136 135.9
[M]- 221.02246 135.9
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.