CID 3043020

54954-70-0

Structural Information

Molecular Formula
C10H15Cl2NOS
SMILES
CC(C)(C)NCC(C1=C(C(=CS1)Cl)Cl)O
InChI
InChI=1S/C10H15Cl2NOS/c1-10(2,3)13-4-7(14)9-8(12)6(11)5-15-9/h5,7,13-14H,4H2,1-3H3
InChIKey
GUIQLFAHIYNZPP-UHFFFAOYSA-N
Compound name
2-(tert-butylamino)-1-(3,4-dichlorothiophen-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.02515 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.03243 159.3
[M+Na]+ 290.01437 167.8
[M-H]- 266.01787 161.8
[M+NH4]+ 285.05897 179.0
[M+K]+ 305.98831 162.0
[M+H-H2O]+ 250.02241 156.2
[M+HCOO]- 312.02335 166.4
[M+CH3COO]- 326.03900 193.6
[M+Na-2H]- 287.99982 158.4
[M]+ 267.02460 163.4
[M]- 267.02570 163.4
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

No patent data available for this compound.