CID 62670216

1-(2-bromophenyl)cyclopropan-1-ol

Structural Information

Molecular Formula
C9H9BrO
SMILES
C1CC1(C2=CC=CC=C2Br)O
InChI
InChI=1S/C9H9BrO/c10-8-4-2-1-3-7(8)9(11)5-6-9/h1-4,11H,5-6H2
InChIKey
AJTDUKPCPXJUMK-UHFFFAOYSA-N
Compound name
1-(2-bromophenyl)cyclopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

211.98367 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.990946 136.1
[M+Na]+ 234.972888 149.7
[M-H]- 210.976394 145.5
[M+NH4]+ 230.017493 155.2
[M+K]+ 250.946828 139.0
[M+H-H2O]+ 194.980930 137.1
[M+HCOO]- 256.981871 157.3
[M+CH3COO]- 270.997521 183.9
[M+Na-2H]- 232.958336 145.5
[M]+ 211.98312142 155.5
[M]- 211.98421858 155.5
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