CID 126836622

5-iodo-2-methyl-3-(trifluoromethyl)aniline hydrochloride

Structural Information

Molecular Formula
C8H7F3IN
SMILES
CC1=C(C=C(C=C1N)I)C(F)(F)F
InChI
InChI=1S/C8H7F3IN/c1-4-6(8(9,10)11)2-5(12)3-7(4)13/h2-3H,13H2,1H3
InChIKey
DRJCQGBNVGYPLS-UHFFFAOYSA-N
Compound name
5-iodo-2-methyl-3-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.95752 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.96480 145.7
[M+Na]+ 323.94674 148.7
[M-H]- 299.95024 139.1
[M+NH4]+ 318.99134 160.4
[M+K]+ 339.92068 151.3
[M+H-H2O]+ 283.95478 134.7
[M+HCOO]- 345.95572 160.9
[M+CH3COO]- 359.97137 194.9
[M+Na-2H]- 321.93219 137.8
[M]+ 300.95697 138.2
[M]- 300.95807 138.2
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

No patent data available for this compound.