CID 12395906

3-bromo-2,4-dimethylaniline

Structural Information

Molecular Formula
C8H10BrN
SMILES
CC1=C(C(=C(C=C1)N)C)Br
InChI
InChI=1S/C8H10BrN/c1-5-3-4-7(10)6(2)8(5)9/h3-4H,10H2,1-2H3
InChIKey
NOIVEHKDGBUHGJ-UHFFFAOYSA-N
Compound name
3-bromo-2,4-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
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 133.9
[M+Na]+ 221.98888 138.0
[M+NH4]+ 217.03348 139.7
[M+K]+ 237.96282 137.5
[M-H]- 197.99238 135.8
[M+Na-2H]- 219.97433 138.1
[M]+ 198.99911 133.9
[M]- 199.00021 133.9
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