CID 3046801

1-(3,5-dibromo-2-thienyl)-2-isopropylaminoethanol

Structural Information

Molecular Formula
C9H13Br2NOS
SMILES
CC(C)NCC(C1=C(C=C(S1)Br)Br)O
InChI
InChI=1S/C9H13Br2NOS/c1-5(2)12-4-7(13)9-6(10)3-8(11)14-9/h3,5,7,12-13H,4H2,1-2H3
InChIKey
PHCVVTFFVNUOSK-UHFFFAOYSA-N
Compound name
1-(3,5-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.90845 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.91573 148.0
[M+Na]+ 363.89767 158.5
[M-H]- 339.90117 154.0
[M+NH4]+ 358.94227 167.1
[M+K]+ 379.87161 141.7
[M+H-H2O]+ 323.90571 155.1
[M+HCOO]- 385.90665 159.2
[M+CH3COO]- 399.92230 209.0
[M+Na-2H]- 361.88312 149.9
[M]+ 340.90790 182.4
[M]- 340.90900 182.4
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

No patent data available for this compound.