CID 62668949

1-[(4-bromophenyl)methyl]cyclopropan-1-ol

Structural Information

Molecular Formula
C10H11BrO
SMILES
C1CC1(CC2=CC=C(C=C2)Br)O
InChI
InChI=1S/C10H11BrO/c11-9-3-1-8(2-4-9)7-10(12)5-6-10/h1-4,12H,5-7H2
InChIKey
MEJMNPNMLAZIBP-UHFFFAOYSA-N
Compound name
1-[(4-bromophenyl)methyl]cyclopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

225.99933 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.006606 140.3
[M+Na]+ 248.988548 153.5
[M-H]- 224.992054 149.5
[M+NH4]+ 244.033153 158.9
[M+K]+ 264.962488 142.6
[M+H-H2O]+ 208.996590 141.2
[M+HCOO]- 270.997531 161.2
[M+CH3COO]- 285.013181 186.6
[M+Na-2H]- 246.973996 149.2
[M]+ 225.99878142 160.0
[M]- 225.99987858 160.0
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