CID 688191

4-bromo-n,n-dimethyl-3-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C9H9BrF3N
SMILES
CN(C)C1=CC(=C(C=C1)Br)C(F)(F)F
InChI
InChI=1S/C9H9BrF3N/c1-14(2)6-3-4-8(10)7(5-6)9(11,12)13/h3-5H,1-2H3
InChIKey
DBSFECXQLNDZAX-UHFFFAOYSA-N
Compound name
4-bromo-N,N-dimethyl-3-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

266.98706 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.99434 150.8
[M+Na]+ 289.97628 163.0
[M-H]- 265.97978 155.1
[M+NH4]+ 285.02088 171.7
[M+K]+ 305.95022 152.0
[M+H-H2O]+ 249.98432 148.2
[M+HCOO]- 311.98526 169.5
[M+CH3COO]- 326.00091 199.3
[M+Na-2H]- 287.96173 156.4
[M]+ 266.98651 166.2
[M]- 266.98761 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