CID 165941534

4-iodo-2-(propan-2-yl)-1-(trifluoromethyl)benzene

Structural Information

Molecular Formula
C10H10F3I
SMILES
CC(C)C1=C(C=CC(=C1)I)C(F)(F)F
InChI
InChI=1S/C10H10F3I/c1-6(2)8-5-7(14)3-4-9(8)10(11,12)13/h3-6H,1-2H3
InChIKey
FJRAPRAUJUAWQT-UHFFFAOYSA-N
Compound name
4-iodo-2-propan-2-yl-1-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.97794 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.98522 146.6
[M+Na]+ 336.96716 148.5
[M-H]- 312.97066 139.9
[M+NH4]+ 332.01176 161.1
[M+K]+ 352.94110 151.6
[M+H-H2O]+ 296.97520 135.5
[M+HCOO]- 358.97614 160.0
[M+CH3COO]- 372.99179 196.5
[M+Na-2H]- 334.95261 138.3
[M]+ 313.97739 140.6
[M]- 313.97849 140.6
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.