CID 10921832

2-propen-1-ol, 2-bromo-3-phenyl-, (2z)-

Structural Information

Molecular Formula
C9H9BrO
SMILES
C1=CC=C(C=C1)/C=C(/CO)\Br
InChI
InChI=1S/C9H9BrO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-6,11H,7H2/b9-6-
InChIKey
NCOYMHGVQKSELR-TWGQIWQCSA-N
Compound name
(Z)-2-bromo-3-phenylprop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

211.98367 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.990946 138.7
[M+Na]+ 234.972888 148.9
[M-H]- 210.976394 143.5
[M+NH4]+ 230.017493 160.2
[M+K]+ 250.946828 137.4
[M+H-H2O]+ 194.980930 139.2
[M+HCOO]- 256.981871 158.7
[M+CH3COO]- 270.997521 180.7
[M+Na-2H]- 232.958336 146.0
[M]+ 211.98312142 155.4
[M]- 211.98421858 155.4
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