CID 69304000

5,7-dibromo-l-tryptophan

Structural Information

Molecular Formula
C11H10Br2N2O2
SMILES
C1=C(C=C(C2=C1C(=CN2)C[C@@H](C(=O)O)N)Br)Br
InChI
InChI=1S/C11H10Br2N2O2/c12-6-2-7-5(1-9(14)11(16)17)4-15-10(7)8(13)3-6/h2-4,9,15H,1,14H2,(H,16,17)/t9-/m0/s1
InChIKey
UURVQGNSCUCIQS-VIFPVBQESA-N
Compound name
(2S)-2-amino-3-(5,7-dibromo-1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

359.9109 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.91818 159.3
[M+Na]+ 382.90012 169.6
[M-H]- 358.90362 163.6
[M+NH4]+ 377.94472 176.0
[M+K]+ 398.87406 152.9
[M+H-H2O]+ 342.90816 166.0
[M+HCOO]- 404.90910 172.4
[M+CH3COO]- 418.92475 210.2
[M+Na-2H]- 380.88557 162.6
[M]+ 359.91035 191.7
[M]- 359.91145 191.7
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