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

42
Patents

210.99966 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.006936 135.8
[M+Na]+ 233.988878 148.4
[M-H]- 209.992384 145.9
[M+NH4]+ 229.033483 153.5
[M+K]+ 249.962818 136.8
[M+H-H2O]+ 193.996920 135.1
[M+HCOO]- 255.997861 159.4
[M+CH3COO]- 270.013511 189.2
[M+Na-2H]- 231.974326 145.0
[M]+ 210.99911142 154.3
[M]- 211.00020858 154.3
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

patents stripe