CID 54848688

2-bromo-4-methyl-6-(prop-2-en-1-yl)phenol

Structural Information

Molecular Formula
C10H11BrO
SMILES
CC1=CC(=C(C(=C1)Br)O)CC=C
InChI
InChI=1S/C10H11BrO/c1-3-4-8-5-7(2)6-9(11)10(8)12/h3,5-6,12H,1,4H2,2H3
InChIKey
JRDODZWUEDCOBD-UHFFFAOYSA-N
Compound name
2-bromo-4-methyl-6-prop-2-enylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

225.99933 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.006606 140.0
[M+Na]+ 248.988548 152.6
[M-H]- 224.992054 145.6
[M+NH4]+ 244.033153 161.9
[M+K]+ 264.962488 140.5
[M+H-H2O]+ 208.996590 140.8
[M+HCOO]- 270.997531 160.6
[M+CH3COO]- 285.013181 186.6
[M+Na-2H]- 246.973996 146.2
[M]+ 225.99878142 158.8
[M]- 225.99987858 158.8
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