CID 91873814

3-iodo-2-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C7H5F3IN
SMILES
C1=CC(=C(C(=C1)I)C(F)(F)F)N
InChI
InChI=1S/C7H5F3IN/c8-7(9,10)6-4(11)2-1-3-5(6)12/h1-3H,12H2
InChIKey
LZNNAYSDYYWMET-UHFFFAOYSA-N
Compound name
3-iodo-2-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.9419 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.94918 141.7
[M+Na]+ 309.93112 144.2
[M-H]- 285.93462 134.9
[M+NH4]+ 304.97572 156.7
[M+K]+ 325.90506 147.0
[M+H-H2O]+ 269.93916 130.6
[M+HCOO]- 331.94010 157.3
[M+CH3COO]- 345.95575 191.0
[M+Na-2H]- 307.91657 135.0
[M]+ 286.94135 133.6
[M]- 286.94245 133.6
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.