CID 81708451

2-bromo-n,3-dimethylaniline hydrochloride

Structural Information

Molecular Formula
C8H10BrN
SMILES
CC1=C(C(=CC=C1)NC)Br
InChI
InChI=1S/C8H10BrN/c1-6-4-3-5-7(10-2)8(6)9/h3-5,10H,1-2H3
InChIKey
VAGSRWYSVFVIME-UHFFFAOYSA-N
Compound name
2-bromo-N,3-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.99966 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.00694 133.5
[M+Na]+ 221.98888 145.4
[M-H]- 197.99238 140.2
[M+NH4]+ 217.03348 156.5
[M+K]+ 237.96282 134.3
[M+H-H2O]+ 181.99692 133.6
[M+HCOO]- 243.99786 156.7
[M+CH3COO]- 258.01351 185.7
[M+Na-2H]- 219.97433 142.0
[M]+ 198.99911 151.5
[M]- 199.00021 151.5
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.