CID 79001600

62119-82-8

Structural Information

Molecular Formula
C7H9ClOS
SMILES
CC(C)(C1=CC=C(S1)Cl)O
InChI
InChI=1S/C7H9ClOS/c1-7(2,9)5-3-4-6(8)10-5/h3-4,9H,1-2H3
InChIKey
FHCURRNAUSZZKL-UHFFFAOYSA-N
Compound name
2-(5-chlorothiophen-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

176.00627 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.01355 135.3
[M+Na]+ 198.99549 145.4
[M-H]- 174.99899 138.6
[M+NH4]+ 194.04009 158.5
[M+K]+ 214.96943 141.4
[M+H-H2O]+ 159.00353 132.1
[M+HCOO]- 221.00447 148.5
[M+CH3COO]- 235.02012 174.0
[M+Na-2H]- 196.98094 137.8
[M]+ 176.00572 138.6
[M]- 176.00682 138.6
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

patents stripe