CID 13719373

109240-30-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
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

literature stripe

Patent stripe

patents stripe