CID 21077909

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

Structural Information

Molecular Formula
C8H6F3I
SMILES
CC1=C(C=CC(=C1)C(F)(F)F)I
InChI
InChI=1S/C8H6F3I/c1-5-4-6(8(9,10)11)2-3-7(5)12/h2-4H,1H3
InChIKey
IRCKGZNGYDUSAN-UHFFFAOYSA-N
Compound name
1-iodo-2-methyl-4-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

285.94662 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.95390 148.8
[M+Na]+ 308.93584 152.5
[M+NH4]+ 303.98044 151.7
[M+K]+ 324.90978 149.4
[M-H]- 284.93934 141.3
[M+Na-2H]- 306.92129 142.4
[M]+ 285.94607 146.2
[M]- 285.94717 146.2
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