CID 155973467

2-cyclopropyl-1-iodo-4-(trifluoromethyl)benzene

Structural Information

Molecular Formula
C10H8F3I
SMILES
C1CC1C2=C(C=CC(=C2)C(F)(F)F)I
InChI
InChI=1S/C10H8F3I/c11-10(12,13)7-3-4-9(14)8(5-7)6-1-2-6/h3-6H,1-2H2
InChIKey
NXZQCSAWJOIQTH-UHFFFAOYSA-N
Compound name
2-cyclopropyl-1-iodo-4-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.96228 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.96956 138.5
[M+Na]+ 334.95150 142.3
[M-H]- 310.95500 135.8
[M+NH4]+ 329.99610 148.6
[M+K]+ 350.92544 144.1
[M+H-H2O]+ 294.95954 126.6
[M+HCOO]- 356.96048 153.6
[M+CH3COO]- 370.97613 196.9
[M+Na-2H]- 332.93695 132.9
[M]+ 311.96173 134.4
[M]- 311.96283 134.4
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

No patent data available for this compound.