CID 71178059

4-iodo-2-(trifluoromethyl)quinoline

Structural Information

Molecular Formula
C10H5F3IN
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)C(F)(F)F)I
InChI
InChI=1S/C10H5F3IN/c11-10(12,13)9-5-7(14)6-3-1-2-4-8(6)15-9/h1-5H
InChIKey
ZOTZSXILHAXXRU-UHFFFAOYSA-N
Compound name
4-iodo-2-(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

322.9419 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.94918 142.8
[M+Na]+ 345.93112 146.3
[M-H]- 321.93462 135.6
[M+NH4]+ 340.97572 156.5
[M+K]+ 361.90506 147.9
[M+H-H2O]+ 305.93916 130.5
[M+HCOO]- 367.94010 155.8
[M+CH3COO]- 381.95575 195.6
[M+Na-2H]- 343.91657 139.3
[M]+ 322.94135 136.9
[M]- 322.94245 136.9
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

patents stripe