CID 59293659

5-bromo-n1-ethylbenzene-1,2-diamine

Structural Information

Molecular Formula
C8H11BrN2
SMILES
CCNC1=C(C=CC(=C1)Br)N
InChI
InChI=1S/C8H11BrN2/c1-2-11-8-5-6(9)3-4-7(8)10/h3-5,11H,2,10H2,1H3
InChIKey
DHIZLNPSALVZBY-UHFFFAOYSA-N
Compound name
4-bromo-2-N-ethylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

214.01056 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.01784 139.4
[M+Na]+ 236.99978 142.0
[M+NH4]+ 232.04438 144.7
[M+K]+ 252.97372 141.6
[M-H]- 213.00328 141.4
[M+Na-2H]- 234.98523 143.3
[M]+ 214.01001 139.0
[M]- 214.01111 139.0
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