CID 165941813

4-bromo-3-chloro-2-fluoro-n-methylaniline

Structural Information

Molecular Formula
C7H6BrClFN
SMILES
CNC1=C(C(=C(C=C1)Br)Cl)F
InChI
InChI=1S/C7H6BrClFN/c1-11-5-3-2-4(8)6(9)7(5)10/h2-3,11H,1H3
InChIKey
UZAFMRQCPXEEHC-UHFFFAOYSA-N
Compound name
4-bromo-3-chloro-2-fluoro-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.93562 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.94290 137.5
[M+Na]+ 259.92484 151.6
[M-H]- 235.92834 143.2
[M+NH4]+ 254.96944 160.1
[M+K]+ 275.89878 138.3
[M+H-H2O]+ 219.93288 137.7
[M+HCOO]- 281.93382 155.6
[M+CH3COO]- 295.94947 190.1
[M+Na-2H]- 257.91029 144.8
[M]+ 236.93507 156.2
[M]- 236.93617 156.2
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.