CID 818999

887576-13-8

Structural Information

Molecular Formula
C8H11ClOS
SMILES
CC(C)(CC1=CC=C(S1)Cl)O
InChI
InChI=1S/C8H11ClOS/c1-8(2,10)5-6-3-4-7(9)11-6/h3-4,10H,5H2,1-2H3
InChIKey
UHDFIMZUODPLSL-UHFFFAOYSA-N
Compound name
1-(5-chlorothiophen-2-yl)-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.02191 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.02919 139.8
[M+Na]+ 213.01113 149.5
[M-H]- 189.01463 143.0
[M+NH4]+ 208.05573 162.5
[M+K]+ 228.98507 145.3
[M+H-H2O]+ 173.01917 136.5
[M+HCOO]- 235.02011 152.8
[M+CH3COO]- 249.03576 177.0
[M+Na-2H]- 210.99658 141.8
[M]+ 190.02136 143.6
[M]- 190.02246 143.6
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.