CID 89007

21667-05-0

Structural Information

Molecular Formula
C10H13Br2NO
SMILES
C1=CC(=CC=C1N(CCBr)CCBr)O
InChI
InChI=1S/C10H13Br2NO/c11-5-7-13(8-6-12)9-1-3-10(14)4-2-9/h1-4,14H,5-8H2
InChIKey
SVMALHWUCBPBFC-UHFFFAOYSA-N
Compound name
4-[bis(2-bromoethyl)amino]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

320.9364 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.94368 150.1
[M+Na]+ 343.92562 159.0
[M-H]- 319.92912 156.3
[M+NH4]+ 338.97022 168.0
[M+K]+ 359.89956 143.4
[M+H-H2O]+ 303.93366 156.8
[M+HCOO]- 365.93460 166.2
[M+CH3COO]- 379.95025 208.8
[M+Na-2H]- 341.91107 156.3
[M]+ 320.93585 184.2
[M]- 320.93695 184.2
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