CID 112756470

2-chloro-4-[1-(trifluoromethyl)cyclopropyl]pyridine

Structural Information

Molecular Formula
C9H7ClF3N
SMILES
C1CC1(C2=CC(=NC=C2)Cl)C(F)(F)F
InChI
InChI=1S/C9H7ClF3N/c10-7-5-6(1-4-14-7)8(2-3-8)9(11,12)13/h1,4-5H,2-3H2
InChIKey
MSARBAZILMBYOV-UHFFFAOYSA-N
Compound name
2-chloro-4-[1-(trifluoromethyl)cyclopropyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

221.02191 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.02919 136.3
[M+Na]+ 244.01113 148.0
[M-H]- 220.01463 138.9
[M+NH4]+ 239.05573 151.3
[M+K]+ 259.98507 143.5
[M+H-H2O]+ 204.01917 128.1
[M+HCOO]- 266.02011 150.8
[M+CH3COO]- 280.03576 188.1
[M+Na-2H]- 241.99658 143.8
[M]+ 221.02136 136.4
[M]- 221.02246 136.4
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