CID 84079073

3-(4-bromophenyl)cyclobutane-1-carbaldehyde

Structural Information

Molecular Formula
C11H11BrO
SMILES
C1C(CC1C2=CC=C(C=C2)Br)C=O
InChI
InChI=1S/C11H11BrO/c12-11-3-1-9(2-4-11)10-5-8(6-10)7-13/h1-4,7-8,10H,5-6H2
InChIKey
QOPKFIMHMRFBSW-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)cyclobutane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

237.99933 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.006606 133.8
[M+Na]+ 260.988548 144.1
[M-H]- 236.992054 142.9
[M+NH4]+ 256.033153 149.4
[M+K]+ 276.962488 136.2
[M+H-H2O]+ 220.996590 129.5
[M+HCOO]- 282.997531 154.2
[M+CH3COO]- 297.013181 192.1
[M+Na-2H]- 258.973996 141.0
[M]+ 237.99878142 159.3
[M]- 237.99987858 159.3
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