CID 37863460

2-chloro-5-(trifluoromethyl)pyridine-3-carbonyl chloride

Structural Information

Molecular Formula
C7H2Cl2F3NO
SMILES
C1=C(C=NC(=C1C(=O)Cl)Cl)C(F)(F)F
InChI
InChI=1S/C7H2Cl2F3NO/c8-5-4(6(9)14)1-3(2-13-5)7(10,11)12/h1-2H
InChIKey
CEQQAPUZEUIPCH-UHFFFAOYSA-N
Compound name
2-chloro-5-(trifluoromethyl)pyridine-3-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

242.94655 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.95383 136.8
[M+Na]+ 265.93577 148.6
[M-H]- 241.93927 135.3
[M+NH4]+ 260.98037 154.6
[M+K]+ 281.90971 143.2
[M+H-H2O]+ 225.94381 130.0
[M+HCOO]- 287.94475 145.8
[M+CH3COO]- 301.96040 188.6
[M+Na-2H]- 263.92122 141.5
[M]+ 242.94600 136.4
[M]- 242.94710 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