CID 12100571

4-bromo-n-cyclopropylaniline

Structural Information

Molecular Formula
C9H10BrN
SMILES
C1CC1NC2=CC=C(C=C2)Br
InChI
InChI=1S/C9H10BrN/c10-7-1-3-8(4-2-7)11-9-5-6-9/h1-4,9,11H,5-6H2
InChIKey
ZLKSFXIYHJMEAD-UHFFFAOYSA-N
Compound name
4-bromo-N-cyclopropylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

210.99966 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.00694 129.7
[M+Na]+ 233.98888 135.1
[M+NH4]+ 229.03348 136.5
[M+K]+ 249.96282 135.4
[M-H]- 209.99238 138.6
[M+Na-2H]- 231.97433 138.1
[M]+ 210.99911 132.8
[M]- 211.00021 132.8
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