CID 168992029

5-bromo-n1-methyl-4-(trifluoromethyl)benzene-1,2-diamine

Structural Information

Molecular Formula
C8H8BrF3N2
SMILES
CNC1=C(C=C(C(=C1)Br)C(F)(F)F)N
InChI
InChI=1S/C8H8BrF3N2/c1-14-7-3-5(9)4(2-6(7)13)8(10,11)12/h2-3,14H,13H2,1H3
InChIKey
YTKDHQQNLFEFRM-UHFFFAOYSA-N
Compound name
4-bromo-2-N-methyl-5-(trifluoromethyl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

267.9823 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.98958 150.9
[M+Na]+ 290.97152 163.1
[M-H]- 266.97502 153.5
[M+NH4]+ 286.01612 170.5
[M+K]+ 306.94546 150.2
[M+H-H2O]+ 250.97956 147.7
[M+HCOO]- 312.98050 169.5
[M+CH3COO]- 326.99615 198.3
[M+Na-2H]- 288.95697 156.0
[M]+ 267.98175 163.2
[M]- 267.98285 163.2
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

No patent data available for this compound.