CID 16284

N,n-bis(2-bromoethyl)aniline

Structural Information

Molecular Formula
C10H13Br2N
SMILES
C1=CC=C(C=C1)N(CCBr)CCBr
InChI
InChI=1S/C10H13Br2N/c11-6-8-13(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKey
LTZFEVFXIMXNRW-UHFFFAOYSA-N
Compound name
N,N-bis(2-bromoethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

22
Patents

304.94147 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.948746 147.5
[M+Na]+ 327.930688 156.3
[M-H]- 303.934194 154.6
[M+NH4]+ 322.975293 166.4
[M+K]+ 343.904628 141.2
[M+H-H2O]+ 287.938730 154.4
[M+HCOO]- 349.939671 164.8
[M+CH3COO]- 363.955321 208.6
[M+Na-2H]- 325.916136 154.8
[M]+ 304.94092142 181.8
[M]- 304.94201858 181.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe