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

22
Patents

225.99933 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.00661 140.0
[M+Na]+ 248.98855 152.6
[M-H]- 224.99205 145.6
[M+NH4]+ 244.03315 161.9
[M+K]+ 264.96249 140.5
[M+H-H2O]+ 208.99659 140.8
[M+HCOO]- 270.99753 160.6
[M+CH3COO]- 285.01318 186.6
[M+Na-2H]- 246.97400 146.2
[M]+ 225.99878 158.8
[M]- 225.99988 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