CID 136527

2-bromo-n,n-dimethylaniline

Structural Information

Molecular Formula
C8H10BrN
SMILES
CN(C)C1=CC=CC=C1Br
InChI
InChI=1S/C8H10BrN/c1-10(2)8-6-4-3-5-7(8)9/h3-6H,1-2H3
InChIKey
ONMSBNJJCUCYED-UHFFFAOYSA-N
Compound name
2-bromo-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

705
Patents

198.99966 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.00694 133.8
[M+Na]+ 221.98888 145.0
[M-H]- 197.99238 141.6
[M+NH4]+ 217.03348 157.2
[M+K]+ 237.96282 135.4
[M+H-H2O]+ 181.99692 133.6
[M+HCOO]- 243.99786 157.5
[M+CH3COO]- 258.01351 188.0
[M+Na-2H]- 219.97433 142.3
[M]+ 198.99911 152.7
[M]- 199.00021 152.7
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