CID 63803394

4-bromo-2-(propan-2-ylsulfanyl)benzaldehyde

Structural Information

Molecular Formula
C10H11BrOS
SMILES
CC(C)SC1=C(C=CC(=C1)Br)C=O
InChI
InChI=1S/C10H11BrOS/c1-7(2)13-10-5-9(11)4-3-8(10)6-12/h3-7H,1-2H3
InChIKey
SOSXCMCHPMPLCX-UHFFFAOYSA-N
Compound name
4-bromo-2-propan-2-ylsulfanylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.9714 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.97868 139.3
[M+Na]+ 280.96062 151.7
[M-H]- 256.96412 146.2
[M+NH4]+ 276.00522 161.0
[M+K]+ 296.93456 139.8
[M+H-H2O]+ 240.96866 139.8
[M+HCOO]- 302.96960 155.6
[M+CH3COO]- 316.98525 192.3
[M+Na-2H]- 278.94607 143.2
[M]+ 257.97085 161.1
[M]- 257.97195 161.1
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.