CID 15072383

2-(3-bromophenyl)propan-2-ol

Structural Information

Molecular Formula
C9H11BrO
SMILES
CC(C)(C1=CC(=CC=C1)Br)O
InChI
InChI=1S/C9H11BrO/c1-9(2,11)7-4-3-5-8(10)6-7/h3-6,11H,1-2H3
InChIKey
ZRFMJMFYMQAUDO-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

283
Patents

213.99933 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.006606 139.5
[M+Na]+ 236.988548 151.0
[M-H]- 212.992054 144.9
[M+NH4]+ 232.033153 161.5
[M+K]+ 252.962488 140.0
[M+H-H2O]+ 196.996590 140.6
[M+HCOO]- 258.997531 158.8
[M+CH3COO]- 273.013181 182.8
[M+Na-2H]- 234.973996 147.9
[M]+ 213.99878142 157.5
[M]- 213.99987858 157.5
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