CID 105484317

(4-bromo-2,3-dihydro-1h-inden-1-yl)methanol

Structural Information

Molecular Formula
C10H11BrO
SMILES
C1CC2=C(C1CO)C=CC=C2Br
InChI
InChI=1S/C10H11BrO/c11-10-3-1-2-8-7(6-12)4-5-9(8)10/h1-3,7,12H,4-6H2
InChIKey
JRDNBADOSXXGJR-UHFFFAOYSA-N
Compound name
(4-bromo-2,3-dihydro-1H-inden-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

225.99933 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.006606 145.2
[M+Na]+ 248.988548 157.1
[M-H]- 224.992054 151.3
[M+NH4]+ 244.033153 169.4
[M+K]+ 264.962488 145.6
[M+H-H2O]+ 208.996590 146.4
[M+HCOO]- 270.997531 165.0
[M+CH3COO]- 285.013181 184.2
[M+Na-2H]- 246.973996 151.4
[M]+ 225.99878142 162.5
[M]- 225.99987858 162.5
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