CID 23245301

1-(2-bromoethyl)-2-methyl-1h-1,3-benzodiazole hydrobromide

Structural Information

Molecular Formula
C10H11BrN2
SMILES
CC1=NC2=CC=CC=C2N1CCBr
InChI
InChI=1S/C10H11BrN2/c1-8-12-9-4-2-3-5-10(9)13(8)7-6-11/h2-5H,6-7H2,1H3
InChIKey
VCPOOQOJBVTOGU-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-2-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.01056 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.01784 143.5
[M+Na]+ 260.99978 157.9
[M-H]- 237.00328 148.9
[M+NH4]+ 256.04438 165.8
[M+K]+ 276.97372 146.4
[M+H-H2O]+ 221.00782 143.2
[M+HCOO]- 283.00876 165.0
[M+CH3COO]- 297.02441 159.4
[M+Na-2H]- 258.98523 152.2
[M]+ 238.01001 165.1
[M]- 238.01111 165.1
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.