CID 94059

2-bromo-6-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C7H5BrF3N
SMILES
C1=CC(=C(C(=C1)Br)N)C(F)(F)F
InChI
InChI=1S/C7H5BrF3N/c8-5-3-1-2-4(6(5)12)7(9,10)11/h1-3H,12H2
InChIKey
BQSYRDIUPNIUGC-UHFFFAOYSA-N
Compound name
2-bromo-6-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

238.95575 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.96303 142.8
[M+Na]+ 261.94497 155.6
[M-H]- 237.94847 145.5
[M+NH4]+ 256.98957 163.8
[M+K]+ 277.91891 143.4
[M+H-H2O]+ 221.95301 140.7
[M+HCOO]- 283.95395 161.1
[M+CH3COO]- 297.96960 189.7
[M+Na-2H]- 259.93042 149.0
[M]+ 238.95520 155.4
[M]- 238.95630 155.4
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