CID 2774402

2,6-dibromo-4-n-propylaniline

Structural Information

Molecular Formula
C9H11Br2N
SMILES
CCCC1=CC(=C(C(=C1)Br)N)Br
InChI
InChI=1S/C9H11Br2N/c1-2-3-6-4-7(10)9(12)8(11)5-6/h4-5H,2-3,12H2,1H3
InChIKey
DTMCGFMOLUVBPL-UHFFFAOYSA-N
Compound name
2,6-dibromo-4-propylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

290.9258 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.93308 142.8
[M+Na]+ 313.91502 153.7
[M-H]- 289.91852 149.2
[M+NH4]+ 308.95962 162.0
[M+K]+ 329.88896 137.2
[M+H-H2O]+ 273.92306 149.9
[M+HCOO]- 335.92400 159.3
[M+CH3COO]- 349.93965 205.7
[M+Na-2H]- 311.90047 148.6
[M]+ 290.92525 175.7
[M]- 290.92635 175.7
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