CID 74891887

5-bromo-2-iodo-4-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C7H4BrF3IN
SMILES
C1=C(C(=CC(=C1I)N)Br)C(F)(F)F
InChI
InChI=1S/C7H4BrF3IN/c8-4-2-6(13)5(12)1-3(4)7(9,10)11/h1-2H,13H2
InChIKey
XBTXLOYTLZINLR-UHFFFAOYSA-N
Compound name
5-bromo-2-iodo-4-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

364.8524 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.85968 156.4
[M+Na]+ 387.84162 162.7
[M-H]- 363.84512 152.7
[M+NH4]+ 382.88622 172.1
[M+K]+ 403.81556 156.2
[M+H-H2O]+ 347.84966 150.6
[M+HCOO]- 409.85060 169.7
[M+CH3COO]- 423.86625 201.0
[M+Na-2H]- 385.82707 150.0
[M]+ 364.85185 166.2
[M]- 364.85295 166.2
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