CID 88064740

1227588-90-0

Structural Information

Molecular Formula
C7H7BrClN
SMILES
CC1=CC(=CC(=N1)Cl)CBr
InChI
InChI=1S/C7H7BrClN/c1-5-2-6(4-8)3-7(9)10-5/h2-3H,4H2,1H3
InChIKey
HPBVWUUEUKYYGE-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-2-chloro-6-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

218.94504 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.952316 132.4
[M+Na]+ 241.934258 146.7
[M-H]- 217.937764 138.0
[M+NH4]+ 236.978863 154.8
[M+K]+ 257.908198 134.3
[M+H-H2O]+ 201.942300 133.5
[M+HCOO]- 263.943241 149.6
[M+CH3COO]- 277.958891 184.6
[M+Na-2H]- 239.919706 141.3
[M]+ 218.94449142 153.3
[M]- 218.94558858 153.3
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