CID 642799

4-(bromomethyl)pyridine hbr

Structural Information

Molecular Formula
C6H6BrN
SMILES
C1=CN=CC=C1CBr
InChI
InChI=1S/C6H6BrN/c7-5-6-1-3-8-4-2-6/h1-4H,5H2
InChIKey
KRLKXOLFFQWKPZ-UHFFFAOYSA-N
Compound name
4-(bromomethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3319
Patents

170.96835 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.97563 124.1
[M+Na]+ 193.95757 136.1
[M-H]- 169.96107 129.3
[M+NH4]+ 189.00217 146.9
[M+K]+ 209.93151 126.0
[M+H-H2O]+ 153.96561 124.5
[M+HCOO]- 215.96655 146.1
[M+CH3COO]- 229.98220 176.1
[M+Na-2H]- 191.94302 135.2
[M]+ 170.96780 142.3
[M]- 170.96890 142.3
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