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

29
Patents

266.98706 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.994336 150.8
[M+Na]+ 289.976278 163.0
[M-H]- 265.979784 155.1
[M+NH4]+ 285.020883 171.7
[M+K]+ 305.950218 152.0
[M+H-H2O]+ 249.984320 148.2
[M+HCOO]- 311.985261 169.5
[M+CH3COO]- 326.000911 199.3
[M+Na-2H]- 287.961726 156.4
[M]+ 266.98651142 166.2
[M]- 266.98760858 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