CID 61776528

4-bromo-2-chloro-n-cyclobutylaniline

Structural Information

Molecular Formula
C10H11BrClN
SMILES
C1CC(C1)NC2=C(C=C(C=C2)Br)Cl
InChI
InChI=1S/C10H11BrClN/c11-7-4-5-10(9(12)6-7)13-8-2-1-3-8/h4-6,8,13H,1-3H2
InChIKey
KZNKRHPQUKMIPL-UHFFFAOYSA-N
Compound name
4-bromo-2-chloro-N-cyclobutylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.97635 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.98363 136.7
[M+Na]+ 281.96557 147.5
[M-H]- 257.96907 145.5
[M+NH4]+ 277.01017 152.1
[M+K]+ 297.93951 137.4
[M+H-H2O]+ 241.97361 132.3
[M+HCOO]- 303.97455 153.7
[M+CH3COO]- 317.99020 196.1
[M+Na-2H]- 279.95102 144.3
[M]+ 258.97580 162.3
[M]- 258.97690 162.3
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.