CID 66037778

1-[(4-bromophenyl)sulfanyl]cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C10H9BrO2S
SMILES
C1CC1(C(=O)O)SC2=CC=C(C=C2)Br
InChI
InChI=1S/C10H9BrO2S/c11-7-1-3-8(4-2-7)14-10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13)
InChIKey
SFWAOLQFGQIPAY-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)sulfanylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.95065 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.957926 138.7
[M+Na]+ 294.939868 151.8
[M-H]- 270.943374 147.8
[M+NH4]+ 289.984473 156.0
[M+K]+ 310.913808 140.3
[M+H-H2O]+ 254.947910 139.7
[M+HCOO]- 316.948851 154.4
[M+CH3COO]- 330.964501 191.8
[M+Na-2H]- 292.925316 145.0
[M]+ 271.95010142 160.6
[M]- 271.95119858 160.6
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.