CID 15320621

3,5-bis(bromomethyl)benzonitrile

Structural Information

Molecular Formula
C9H7Br2N
SMILES
C1=C(C=C(C=C1CBr)C#N)CBr
InChI
InChI=1S/C9H7Br2N/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H,4-5H2
InChIKey
RPUUHCFKDYQOME-UHFFFAOYSA-N
Compound name
3,5-bis(bromomethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

286.89453 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.90181 148.2
[M+Na]+ 309.88375 145.1
[M+NH4]+ 304.92835 149.0
[M+K]+ 325.85769 147.9
[M-H]- 285.88725 145.4
[M+Na-2H]- 307.86920 149.0
[M]+ 286.89398 145.6
[M]- 286.89508 145.6
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