CID 22147841

100366-75-4

Structural Information

Molecular Formula
C6H3F3IN
SMILES
C1=CC(=NC=C1C(F)(F)F)I
InChI
InChI=1S/C6H3F3IN/c7-6(8,9)4-1-2-5(10)11-3-4/h1-3H
InChIKey
WSEVWIIOEQZEOU-UHFFFAOYSA-N
Compound name
2-iodo-5-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

250
Patents

272.92624 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.933516 132.1
[M+Na]+ 295.915458 135.0
[M-H]- 271.918964 124.2
[M+NH4]+ 290.960063 146.7
[M+K]+ 311.889398 138.4
[M+H-H2O]+ 255.923500 120.5
[M+HCOO]- 317.924441 146.5
[M+CH3COO]- 331.940091 185.7
[M+Na-2H]- 293.900906 127.8
[M]+ 272.92569142 125.5
[M]- 272.92678858 125.5
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