CID 81093

6-bromohexanenitrile

Structural Information

Molecular Formula
C6H10BrN
SMILES
C(CCC#N)CCBr
InChI
InChI=1S/C6H10BrN/c7-5-3-1-2-4-6-8/h1-5H2
InChIKey
PHOSWLARCIBBJZ-UHFFFAOYSA-N
Compound name
6-bromohexanenitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

768
Patents

174.99966 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.006936 123.8
[M+Na]+ 197.988878 136.4
[M-H]- 173.992384 126.1
[M+NH4]+ 193.033483 145.4
[M+K]+ 213.962818 126.4
[M+H-H2O]+ 157.996920 117.9
[M+HCOO]- 219.997861 144.2
[M+CH3COO]- 234.013511 191.6
[M+Na-2H]- 195.974326 132.2
[M]+ 174.99911142 136.9
[M]- 175.00020858 136.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe