CID 82708560

5-bromo-2-(propylamino)benzonitrile

Structural Information

Molecular Formula
C10H11BrN2
SMILES
CCCNC1=C(C=C(C=C1)Br)C#N
InChI
InChI=1S/C10H11BrN2/c1-2-5-13-10-4-3-9(11)6-8(10)7-12/h3-4,6,13H,2,5H2,1H3
InChIKey
XIOWOJIUDDNCBN-UHFFFAOYSA-N
Compound name
5-bromo-2-(propylamino)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.01056 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.01784 141.9
[M+Na]+ 260.99978 154.8
[M-H]- 237.00328 146.4
[M+NH4]+ 256.04438 161.0
[M+K]+ 276.97372 142.7
[M+H-H2O]+ 221.00782 134.6
[M+HCOO]- 283.00876 163.0
[M+CH3COO]- 297.02441 203.3
[M+Na-2H]- 258.98523 148.8
[M]+ 238.01001 153.8
[M]- 238.01111 153.8
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

No patent data available for this compound.