CID 62668955

1-(3-bromophenyl)cyclopropan-1-ol

Structural Information

Molecular Formula
C9H9BrO
SMILES
C1CC1(C2=CC(=CC=C2)Br)O
InChI
InChI=1S/C9H9BrO/c10-8-3-1-2-7(6-8)9(11)4-5-9/h1-3,6,11H,4-5H2
InChIKey
GYCQBWXEPIWYQK-UHFFFAOYSA-N
Compound name
1-(3-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]+ 212.99095 136.1
[M+Na]+ 234.97289 149.7
[M-H]- 210.97639 145.5
[M+NH4]+ 230.01749 155.2
[M+K]+ 250.94683 139.0
[M+H-H2O]+ 194.98093 137.1
[M+HCOO]- 256.98187 157.3
[M+CH3COO]- 270.99752 183.9
[M+Na-2H]- 232.95834 145.5
[M]+ 211.98312 155.5
[M]- 211.98422 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