CID 177798462

6-bromo-1-methyl-2,3-dihydro-1h-indene-1-carbaldehyde

Structural Information

Molecular Formula
C11H11BrO
SMILES
CC1(CCC2=C1C=C(C=C2)Br)C=O
InChI
InChI=1S/C11H11BrO/c1-11(7-13)5-4-8-2-3-9(12)6-10(8)11/h2-3,6-7H,4-5H2,1H3
InChIKey
RMMIUMPPOBRFAT-UHFFFAOYSA-N
Compound name
6-bromo-1-methyl-2,3-dihydroindene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.99933 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.006606 145.7
[M+Na]+ 260.988548 158.9
[M-H]- 236.992054 153.4
[M+NH4]+ 256.033153 172.1
[M+K]+ 276.962488 147.6
[M+H-H2O]+ 220.996590 147.4
[M+HCOO]- 282.997531 166.9
[M+CH3COO]- 297.013181 188.2
[M+Na-2H]- 258.973996 153.1
[M]+ 237.99878142 164.9
[M]- 237.99987858 164.9
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.