CID 8167130

4-bromo-2,5-dimethylaniline

Structural Information

Molecular Formula
C8H10BrN
SMILES
CC1=CC(=C(C=C1Br)C)N
InChI
InChI=1S/C8H10BrN/c1-5-4-8(10)6(2)3-7(5)9/h3-4H,10H2,1-2H3
InChIKey
CXPJJDQQLXEYPM-UHFFFAOYSA-N
Compound name
4-bromo-2,5-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
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 134.0
[M+Na]+ 221.98888 146.7
[M-H]- 197.99238 140.6
[M+NH4]+ 217.03348 157.0
[M+K]+ 237.96282 135.3
[M+H-H2O]+ 181.99692 134.2
[M+HCOO]- 243.99786 156.5
[M+CH3COO]- 258.01351 186.2
[M+Na-2H]- 219.97433 140.7
[M]+ 198.99911 151.4
[M]- 199.00021 151.4
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