CID 54595648

2-bromo-1-n-methylbenzene-1,4-diamine

Structural Information

Molecular Formula
C7H9BrN2
SMILES
CNC1=C(C=C(C=C1)N)Br
InChI
InChI=1S/C7H9BrN2/c1-10-7-3-2-5(9)4-6(7)8/h2-4,10H,9H2,1H3
InChIKey
JAOXYXBFSONQAX-UHFFFAOYSA-N
Compound name
2-bromo-1-N-methylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

199.9949 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00218 134.8
[M+Na]+ 222.98412 137.7
[M+NH4]+ 218.02872 140.2
[M+K]+ 238.95806 137.5
[M-H]- 198.98762 136.9
[M+Na-2H]- 220.96957 139.0
[M]+ 199.99435 134.5
[M]- 199.99545 134.5
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

patents stripe