CID 124159671

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 138.2
[M+Na]+ 236.99978 149.0
[M-H]- 213.00328 144.1
[M+NH4]+ 232.04438 159.8
[M+K]+ 252.97372 137.2
[M+H-H2O]+ 197.00782 137.2
[M+HCOO]- 259.00876 161.5
[M+CH3COO]- 273.02441 189.7
[M+Na-2H]- 234.98523 145.7
[M]+ 214.01001 154.3
[M]- 214.01111 154.3
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