CID 123566

(4-bromophenyl)(cyclopropyl)methanol

Structural Information

Molecular Formula
C10H11BrO
SMILES
C1CC1C(C2=CC=C(C=C2)Br)O
InChI
InChI=1S/C10H11BrO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7,10,12H,1-2H2
InChIKey
PLVQKMYLBFYJHT-UHFFFAOYSA-N
Compound name
(4-bromophenyl)-cyclopropylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

27
Patents

225.99933 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.00661 140.4
[M+Na]+ 248.98855 152.6
[M-H]- 224.99205 149.2
[M+NH4]+ 244.03315 157.1
[M+K]+ 264.96249 141.2
[M+H-H2O]+ 208.99659 140.2
[M+HCOO]- 270.99753 160.7
[M+CH3COO]- 285.01318 187.8
[M+Na-2H]- 246.97400 147.2
[M]+ 225.99878 158.9
[M]- 225.99988 158.9
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